CS-0858346
(1R,2S,5S)-N-((R)-1-Cyano-2-((S)-2-oxopyrrolidin-3-yl)ethyl)-3-((S)-3,3-dimethyl-2-(2,2,2-trifluoroacetamido)butanoyl)-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide
Manufacturer: ChemScene
CAS Number: 2755812-41-8
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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
C₂₃H₃₂F₃N₅O₄
Molecular Weight
499.53
Synonyms
None
SMILES
O=C(N[C@H](C[C@@H]1CCNC1=O)C#N)[C@H]2N(C([C@@H](NC(C(F)(F)F)=O)C(C)(C)C)=O)C[C@H]3[C@@H]2C3(C)C
Tpsa
131.4
Logp
1.09718
H Acceptors
5
H Donors
3
Rotatable Bonds
6
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: C₂₃H₃₂F₃N₅O₄
Molecular Weight: 499.53
Synonyms: None
SMILES: O=C(N[C@H](C[C@@H]1CCNC1=O)C#N)[C@H]2N(C([C@@H](NC(C(F)(F)F)=O)C(C)(C)C)=O)C[C@H]3[C@@H]2C3(C)C
Tpsa: 131.4
Logp: 1.09718
H Acceptors: 5
H Donors: 3
Rotatable Bonds: 6
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₂₃H₃₂F₃N₅O₄
Molecular Weight:
499.53
Synonyms:
None
SMILES:
O=C(N[C@H](C[C@@H]1CCNC1=O)C#N)[C@H]2N(C([C@@H](NC(C(F)(F)F)=O)C(C)(C)C)=O)C[C@H]3[C@@H]2C3(C)C
Tpsa:
131.4
Logp:
1.09718
H Acceptors:
5
H Donors:
3
Rotatable Bonds:
6
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₂₆H₂₆N₂O₃
Molecular Weight: 414.50
Synonyms: None
SMILES: O=C(C1=C(C)C=CC=C1)NC2=CC=C(C(C)=C2)C(N3C4=C(C(CCC3)O)C=CC=C4)=O
Tpsa: 69.64
Logp: 5.02974
H Acceptors: 3
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:
C₂₆H₂₆N₂O₃
Molecular Weight:
414.50
Synonyms:
None
SMILES:
O=C(C1=C(C)C=CC=C1)NC2=CC=C(C(C)=C2)C(N3C4=C(C(CCC3)O)C=CC=C4)=O
Tpsa:
69.64
Logp:
5.02974
H Acceptors:
3
H Donors:
2
Rotatable Bonds:
3
Purity: 94%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₀H₁₁NNaO₈S₂
Molecular Weight: 360.32
Synonyms: None
SMILES: [Na].O=S(=O)(O)C=1C=C(O)C2=C(N)C=C(C=C2C1)S(=O)(=O)O.O
Tpsa: 186.49
Logp: -0.5845
H Acceptors: 6
H Donors: 4
Rotatable Bonds: 2
Purity:
94%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₀H₁₁NNaO₈S₂
Molecular Weight:
360.32
Synonyms:
None
SMILES:
[Na].O=S(=O)(O)C=1C=C(O)C2=C(N)C=C(C=C2C1)S(=O)(=O)O.O
Tpsa:
186.49
Logp:
-0.5845
H Acceptors:
6
H Donors:
4
Rotatable Bonds:
2
Purity: 95%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₇H₂₆O₆
Molecular Weight: 326.38
Synonyms: None
SMILES: O=C(OCC(C)(C)C1OCC(COC(=O)C=C)(CO1)CC)C=C
Tpsa: 71.06
Logp: 2.2403
H Acceptors: 6
H Donors: 0
Rotatable Bonds: 8
Purity:
95%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₇H₂₆O₆
Molecular Weight:
326.38
Synonyms:
None
SMILES:
O=C(OCC(C)(C)C1OCC(COC(=O)C=C)(CO1)CC)C=C
Tpsa:
71.06
Logp:
2.2403
H Acceptors:
6
H Donors:
0
Rotatable Bonds:
8