CS-0636151
(7aR)-6-(Difluoromethyl)-7a-(hydroxymethyl)hexahydro-3H-pyrrolizin-3-one
Manufacturer: ChemScene
CAS Number: 2852766-78-8
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Purity
98%
MDL No
None
Storage
Sealed in dry,2-8℃
Shipping
Room temperature in continental US; may vary elsewhere.
Molecular Formula
C₉H₁₃F₂NO₂
Molecular Weight
205.20
Synonyms
None
SMILES
O=C1CC[C@]2(CO)CC(C(F)F)CN21
Tpsa
40.54
Logp
0.6249
H Acceptors
2
H Donors
1
Rotatable Bonds
2
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SAFETY INFORMATION
Pictograms
Signal Word
Warning
UN Number
N/A
Class
N/A
Packing Group
N/A
Hazard Statements
Precautionary Statements
P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501
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Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₉H₁₃F₂NO₂
Molecular Weight: 205.20
Synonyms: None
SMILES: O=C1CC[C@]2(CO)CC(C(F)F)CN21
Tpsa: 40.54
Logp: 0.6249
H Acceptors: 2
H Donors: 1
Rotatable Bonds: 2
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₉H₁₃F₂NO₂
Molecular Weight:
205.20
Synonyms:
None
SMILES:
O=C1CC[C@]2(CO)CC(C(F)F)CN21
Tpsa:
40.54
Logp:
0.6249
H Acceptors:
2
H Donors:
1
Rotatable Bonds:
2
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₂H₂₃NO₃
Molecular Weight: 229.32
Synonyms: None
SMILES: CC(C)(C)OC(N1[C@@](C)(CCC1)[C@@H](O)C)=O
Tpsa: 49.77
Logp: 2.1568
H Acceptors: 3
H Donors: 1
Rotatable Bonds: 1
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₂H₂₃NO₃
Molecular Weight:
229.32
Synonyms:
None
SMILES:
CC(C)(C)OC(N1[C@@](C)(CCC1)[C@@H](O)C)=O
Tpsa:
49.77
Logp:
2.1568
H Acceptors:
3
H Donors:
1
Rotatable Bonds:
1
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₂₁H₁₉Cl₂NO₂
Molecular Weight: 388.29
Synonyms: None
SMILES: O=C(C(CCC)C1=C(C2=CC=C(Cl)C=C2)C3=C(C=CC(Cl)=C3)N=C1C)O
Tpsa: 50.19
Logp: 6.48532
H Acceptors: 2
H Donors: 1
Rotatable Bonds: 5
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₂₁H₁₉Cl₂NO₂
Molecular Weight:
388.29
Synonyms:
None
SMILES:
O=C(C(CCC)C1=C(C2=CC=C(Cl)C=C2)C3=C(C=CC(Cl)=C3)N=C1C)O
Tpsa:
50.19
Logp:
6.48532
H Acceptors:
2
H Donors:
1
Rotatable Bonds:
5
Purity: 98%
MDL No: None
Storage: polypeptide, sealed storage, away from moisture and light, under nitrogen
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₆₃H₂₆₆N₅₀O₅₀S₂
Molecular Weight: 3790.31
Synonyms: CGRP (free acid)
SMILES: O=C(N[C@@H](CSSC[C@@H](C(N[C@@H](C(C)C)C(N[C@@H]([C@H](O)C)C(N[C@@H](CC1=CNC=N1)C(N[C@@H](CCCNC(N)=N)C(N[C@@H](CC(C)C)C(N[C@@H](C)C(NCC(N[C@@H](CC(C)C)C(N[C@@H](CC(C)C)C(N[C@@H](CO)C(N[C@@H](CCCNC(N)=N)C(N[C@@H](CO)C(NCC(NCC(N[C@@H](C(C)C)C(N[C@@H](C(C)C)C(N[C@@H](CCCCN)C(N[C@@H](CC(N)=O)C(N[C@@H](CC(N)=O)C(N[C@@H](CC2=CC=CC=C2)C(N[C@@H](C(C)C)C(N3[C@@H](CCC3)C(N[C@@H]([C@H](O)C)C(N[C@@H](CC(N)=O)C(N[C@@H](C(C)C)C(NCC(N[C@@H](CO)C(N[C@@H](CCCCN)C(N[C@@H](C)C(N[C@@H](CC4=CC=CC=C4)C(O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)NC5=O)C(N[C@@H](CC(O)=O)C(N[C@@H]([C@H](O)C)C(N[C@@H](C)C(N[C@H]5[C@H](O)C)=O)=O)=O)=O)[C@H](C)N
Tpsa: N/A
Logp: N/A
H Acceptors: N/A
H Donors: N/A
Rotatable Bonds: N/A
Purity:
98%
MDL No:
None
Storage:
polypeptide, sealed storage, away from moisture and light, under nitrogen
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₆₃H₂₆₆N₅₀O₅₀S₂
Molecular Weight:
3790.31
Synonyms:
CGRP (free acid)
SMILES:
O=C(N[C@@H](CSSC[C@@H](C(N[C@@H](C(C)C)C(N[C@@H]([C@H](O)C)C(N[C@@H](CC1=CNC=N1)C(N[C@@H](CCCNC(N)=N)C(N[C@@H](CC(C)C)C(N[C@@H](C)C(NCC(N[C@@H](CC(C)C)C(N[C@@H](CC(C)C)C(N[C@@H](CO)C(N[C@@H](CCCNC(N)=N)C(N[C@@H](CO)C(NCC(NCC(N[C@@H](C(C)C)C(N[C@@H](C(C)C)C(N[C@@H](CCCCN)C(N[C@@H](CC(N)=O)C(N[C@@H](CC(N)=O)C(N[C@@H](CC2=CC=CC=C2)C(N[C@@H](C(C)C)C(N3[C@@H](CCC3)C(N[C@@H]([C@H](O)C)C(N[C@@H](CC(N)=O)C(N[C@@H](C(C)C)C(NCC(N[C@@H](CO)C(N[C@@H](CCCCN)C(N[C@@H](C)C(N[C@@H](CC4=CC=CC=C4)C(O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)NC5=O)C(N[C@@H](CC(O)=O)C(N[C@@H]([C@H](O)C)C(N[C@@H](C)C(N[C@H]5[C@H](O)C)=O)=O)=O)=O)[C@H](C)N
Tpsa:
N/A
Logp:
N/A
H Acceptors:
N/A
H Donors:
N/A
Rotatable Bonds:
N/A