CS-0255727
tert-Butyl (7-((3aS,4S,6R,6aS)-6-cyano-6-(hydroxymethyl)-2,2-dimethyltetrahydrofuro[3,4-d][1,3]dioxol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-yl)carbamate
Manufacturer: ChemScene
CAS Number: 2691070-10-5
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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
C₂₀H₂₅N₅O₆
Molecular Weight
431.44
Synonyms
None
SMILES
N#C[C@@]1(O[C@](C2=CC=C3N2N=CN=C3NC(OC(C)(C)C)=O)([H])[C@@]4([H])[C@]1([H])OC(C)(O4)C)CO
Tpsa
140.23
Logp
1.92238
H Acceptors
10
H Donors
2
Rotatable Bonds
3
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: C₂₀H₂₅N₅O₆
Molecular Weight: 431.44
Synonyms: None
SMILES: N#C[C@@]1(O[C@](C2=CC=C3N2N=CN=C3NC(OC(C)(C)C)=O)([H])[C@@]4([H])[C@]1([H])OC(C)(O4)C)CO
Tpsa: 140.23
Logp: 1.92238
H Acceptors: 10
H Donors: 2
Rotatable Bonds: 3
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₂₀H₂₅N₅O₆
Molecular Weight:
431.44
Synonyms:
None
SMILES:
N#C[C@@]1(O[C@](C2=CC=C3N2N=CN=C3NC(OC(C)(C)C)=O)([H])[C@@]4([H])[C@]1([H])OC(C)(O4)C)CO
Tpsa:
140.23
Logp:
1.92238
H Acceptors:
10
H Donors:
2
Rotatable Bonds:
3
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₃H₂₃NO₄
Molecular Weight: 257.33
Synonyms: trans-4-[N-Methyl-N-(tert-butoxycarbonyl)-amino]cyclohexanecarboxylic acid
SMILES: O=C([C@H]1CC[C@H](N(C(OC(C)(C)C)=O)C)CC1)O
Tpsa: 66.84
Logp: 2.4967
H Acceptors: 3
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:
C₁₃H₂₃NO₄
Molecular Weight:
257.33
Synonyms:
trans-4-[N-Methyl-N-(tert-butoxycarbonyl)-amino]cyclohexanecarboxylic acid
SMILES:
O=C([C@H]1CC[C@H](N(C(OC(C)(C)C)=O)C)CC1)O
Tpsa:
66.84
Logp:
2.4967
H Acceptors:
3
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: C₁₁H₂₁NO₃
Molecular Weight: 215.29
Synonyms: None
SMILES: CC(C)(C)OC([C@@H]1C[C@@H](C1)OCCN)=O
Tpsa: 61.55
Logp: 1.082
H Acceptors: 4
H Donors: 1
Rotatable Bonds: 4
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₁H₂₁NO₃
Molecular Weight:
215.29
Synonyms:
None
SMILES:
CC(C)(C)OC([C@@H]1C[C@@H](C1)OCCN)=O
Tpsa:
61.55
Logp:
1.082
H Acceptors:
4
H Donors:
1
Rotatable Bonds:
4
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₃H₂₄N₂O₂
Molecular Weight: 240.34
Synonyms: None
SMILES: O=C(C1CN(C2CCNCC2)C1)OC(C)(C)C
Tpsa: 41.57
Logp: 1.0119
H Acceptors: 4
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:
C₁₃H₂₄N₂O₂
Molecular Weight:
240.34
Synonyms:
None
SMILES:
O=C(C1CN(C2CCNCC2)C1)OC(C)(C)C
Tpsa:
41.57
Logp:
1.0119
H Acceptors:
4
H Donors:
1
Rotatable Bonds:
2