CS-0434859
(3S,4R)-tert-Butyl 3-amino-4-(4-bromophenyl)pyrrolidine-1-carboxylate
Manufacturer: ChemScene
CAS Number: 2350837-56-6
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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
C₁₅H₂₁BrN₂O₂
Molecular Weight
341.24
Synonyms
None
SMILES
O=C(N1C[C@@H](N)[C@H](C2=CC=C(Br)C=C2)C1)OC(C)(C)C
Tpsa
55.56
Logp
3.1107
H Acceptors
3
H Donors
1
Rotatable Bonds
1
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: C₁₅H₂₁BrN₂O₂
Molecular Weight: 341.24
Synonyms: None
SMILES: O=C(N1C[C@@H](N)[C@H](C2=CC=C(Br)C=C2)C1)OC(C)(C)C
Tpsa: 55.56
Logp: 3.1107
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:
C₁₅H₂₁BrN₂O₂
Molecular Weight:
341.24
Synonyms:
None
SMILES:
O=C(N1C[C@@H](N)[C@H](C2=CC=C(Br)C=C2)C1)OC(C)(C)C
Tpsa:
55.56
Logp:
3.1107
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: C₁₅₃H₂₄₄F₃N₃₉O₃₉
Molecular Weight: 3310.80
Synonyms: None
SMILES: OC(C(F)(F)F)=O.O=C([C@H]1N(CCC1)C(CNC([C@H](CO)NC([C@H]2N(CCC2)C([C@H](CC(N)=O)NC([C@@H](NC([C@H](CC(C)C)NC([C@H](CC(C)C)NC([C@H](CCCCN)NC([C@H](CCCNC(N)=N)NC([C@@H](NC([C@H]([C@@H](C)CC)NC([C@H](CC(C)C)NC([C@@H](N)C)=O)=O)=O)CC3=CC=C(C=C3)O)=O)=O)=O)=O)=O)CC4=CC=CC=C4)=O)=O)=O)=O)=O)N[C@@H](CC5=CC=C(C=C5)O)C(N[C@@H](CCC(N)=O)C(N[C@@H](CCCCN)C(N[C@@H](CCCCN)C(N6[C@@H](CCC6)C(N[C@@H](C(C)C)C(N[C@H](C(N[C@@H](CCC(O)=O)C(N[C@@H](CCCCN)C(N[C@@H](CCCCN)C(N[C@@H](CCC(O)=O)C(N[C@@H](C(C)C)C(N[C@H](C(O)=O)CC(C)C)=O)=O)=O)=O)=O)=O)CC7=CN=CN7)=O)=O)=O)=O)=O)=O
Tpsa: 1273
Logp: -5.77503
H Acceptors: 43
H Donors: 42
Rotatable Bonds: 106
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₅₃H₂₄₄F₃N₃₉O₃₉
Molecular Weight:
3310.80
Synonyms:
None
SMILES:
OC(C(F)(F)F)=O.O=C([C@H]1N(CCC1)C(CNC([C@H](CO)NC([C@H]2N(CCC2)C([C@H](CC(N)=O)NC([C@@H](NC([C@H](CC(C)C)NC([C@H](CC(C)C)NC([C@H](CCCCN)NC([C@H](CCCNC(N)=N)NC([C@@H](NC([C@H]([C@@H](C)CC)NC([C@H](CC(C)C)NC([C@@H](N)C)=O)=O)=O)CC3=CC=C(C=C3)O)=O)=O)=O)=O)=O)CC4=CC=CC=C4)=O)=O)=O)=O)=O)N[C@@H](CC5=CC=C(C=C5)O)C(N[C@@H](CCC(N)=O)C(N[C@@H](CCCCN)C(N[C@@H](CCCCN)C(N6[C@@H](CCC6)C(N[C@@H](C(C)C)C(N[C@H](C(N[C@@H](CCC(O)=O)C(N[C@@H](CCCCN)C(N[C@@H](CCCCN)C(N[C@@H](CCC(O)=O)C(N[C@@H](C(C)C)C(N[C@H](C(O)=O)CC(C)C)=O)=O)=O)=O)=O)=O)CC7=CN=CN7)=O)=O)=O)=O)=O)=O
Tpsa:
1273
Logp:
-5.77503
H Acceptors:
43
H Donors:
42
Rotatable Bonds:
106
Purity: 97%
MDL No: None
Storage: 4°C
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₉H₁₅BrO₂
Molecular Weight: 235.12
Synonyms: Tert-butyl-4-bromopent-4-enoate
SMILES: O=C(CCC(Br)=C)OC(C)(C)C
Tpsa: 26.3
Logp: 3.0169
H Acceptors: 2
H Donors: 0
Rotatable Bonds: 3
Purity:
97%
MDL No:
None
Storage:
4°C
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₉H₁₅BrO₂
Molecular Weight:
235.12
Synonyms:
Tert-butyl-4-bromopent-4-enoate
SMILES:
O=C(CCC(Br)=C)OC(C)(C)C
Tpsa:
26.3
Logp:
3.0169
H Acceptors:
2
H Donors:
0
Rotatable Bonds:
3
Purity: 95+%
MDL No: MFCD16997345
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₀H₁₄O₂
Molecular Weight: 166.22
Synonyms: Phenol,2-methyl-5-(1-methylethoxy)
SMILES: OC1=CC(OC(C)C)=CC=C1C
Tpsa: 29.46
Logp: 2.48782
H Acceptors: 2
H Donors: 1
Rotatable Bonds: 2
Purity:
95+%
MDL No:
MFCD16997345
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₀H₁₄O₂
Molecular Weight:
166.22
Synonyms:
Phenol,2-methyl-5-(1-methylethoxy)
SMILES:
OC1=CC(OC(C)C)=CC=C1C
Tpsa:
29.46
Logp:
2.48782
H Acceptors:
2
H Donors:
1
Rotatable Bonds:
2