CS-0802598
Methyl (S)-3,3-dimethyl-2-(8-methyl-3-(2,4,5-trifluorophenyl)-6,7,8,9-tetrahydro-5H-imidazo[1,5-a][1,4]diazepine-1-carboxamido)butanoate
Manufacturer: ChemScene
CAS Number: 1160161-46-5
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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
C₂₂H₂₇F₃N₄O₃
Molecular Weight
452.47
Synonyms
None
SMILES
COC(=O)[C@H](C(C)(C)C)NC(=O)C1=C2N(CCCN(C)C2)C(=N1)C3=C(F)C=C(F)C(F)=C3
Tpsa
76.46
Logp
3.1204
H Acceptors
6
H Donors
1
Rotatable Bonds
4
Related Products
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: C₂₂H₂₇F₃N₄O₃
Molecular Weight: 452.47
Synonyms: None
SMILES: COC(=O)[C@H](C(C)(C)C)NC(=O)C1=C2N(CCCN(C)C2)C(=N1)C3=C(F)C=C(F)C(F)=C3
Tpsa: 76.46
Logp: 3.1204
H Acceptors: 6
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:
C₂₂H₂₇F₃N₄O₃
Molecular Weight:
452.47
Synonyms:
None
SMILES:
COC(=O)[C@H](C(C)(C)C)NC(=O)C1=C2N(CCCN(C)C2)C(=N1)C3=C(F)C=C(F)C(F)=C3
Tpsa:
76.46
Logp:
3.1204
H Acceptors:
6
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: C₂₀H₂₃ClF₂N₄O₃
Molecular Weight: 440.87
Synonyms: None
SMILES: COC(=O)C(C)(C)NC(=O)C1=C2N(CCCN(C)C2)C(=N1)C3=C(F)C=C(F)C(Cl)=C3
Tpsa: 76.46
Logp: 2.9986
H Acceptors: 6
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:
C₂₀H₂₃ClF₂N₄O₃
Molecular Weight:
440.87
Synonyms:
None
SMILES:
COC(=O)C(C)(C)NC(=O)C1=C2N(CCCN(C)C2)C(=N1)C3=C(F)C=C(F)C(Cl)=C3
Tpsa:
76.46
Logp:
2.9986
H Acceptors:
6
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: C₂₆H₃₅FN₄O₅
Molecular Weight: 502.58
Synonyms: None
SMILES: CC(C)(C)OC(=O)N1CC2N(CCC1)C(C3=C(F)C=C(C)C=C3)=NC=2C(=O)N[C@H](C(O)=O)C(C)(C)C
Tpsa: 113.76
Logp: 4.36752
H Acceptors: 6
H Donors: 2
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:
C₂₆H₃₅FN₄O₅
Molecular Weight:
502.58
Synonyms:
None
SMILES:
CC(C)(C)OC(=O)N1CC2N(CCC1)C(C3=C(F)C=C(C)C=C3)=NC=2C(=O)N[C@H](C(O)=O)C(C)(C)C
Tpsa:
113.76
Logp:
4.36752
H Acceptors:
6
H Donors:
2
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: C₂₁H₂₇ClN₄O₄
Molecular Weight: 434.92
Synonyms: None
SMILES: COC(=O)N1CC2N(CC1)C(=NC=2C(=O)N[C@H](CO)C(C)(C)C)C3=CC=C(Cl)C=C3
Tpsa: 96.69
Logp: 2.9223
H Acceptors: 6
H Donors: 2
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:
C₂₁H₂₇ClN₄O₄
Molecular Weight:
434.92
Synonyms:
None
SMILES:
COC(=O)N1CC2N(CC1)C(=NC=2C(=O)N[C@H](CO)C(C)(C)C)C3=CC=C(Cl)C=C3
Tpsa:
96.69
Logp:
2.9223
H Acceptors:
6
H Donors:
2
Rotatable Bonds:
4