CS-0803069
Tert-butyl N-[(6S,9R)-6-(2,3-difluorophenyl)-3-(dimethylcarbamoyl)-6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepin-9-yl]carbamate
Manufacturer: ChemScene
CAS Number: 1300100-76-8
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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
C₂₂H₂₈F₂N₄O₃
Molecular Weight
434.48
Synonyms
None
SMILES
CN(C)C(=O)C1N2C(=NC=1)[C@@H](CC[C@H](C2)C3=C(F)C(F)=CC=C3)NC(=O)OC(C)(C)C
Tpsa
76.46
Logp
4.0065
H Acceptors
5
H Donors
1
Rotatable Bonds
3
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: C₂₂H₂₈F₂N₄O₃
Molecular Weight: 434.48
Synonyms: None
SMILES: CN(C)C(=O)C1N2C(=NC=1)[C@@H](CC[C@H](C2)C3=C(F)C(F)=CC=C3)NC(=O)OC(C)(C)C
Tpsa: 76.46
Logp: 4.0065
H Acceptors: 5
H Donors: 1
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:
C₂₂H₂₈F₂N₄O₃
Molecular Weight:
434.48
Synonyms:
None
SMILES:
CN(C)C(=O)C1N2C(=NC=1)[C@@H](CC[C@H](C2)C3=C(F)C(F)=CC=C3)NC(=O)OC(C)(C)C
Tpsa:
76.46
Logp:
4.0065
H Acceptors:
5
H Donors:
1
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: C₇H₁₂O₂
Molecular Weight: 128.17
Synonyms: None
SMILES: OC[C@]1(O)C(=C)CCC1
Tpsa: 40.46
Logp: 0.4499
H Acceptors: 2
H Donors: 2
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:
C₇H₁₂O₂
Molecular Weight:
128.17
Synonyms:
None
SMILES:
OC[C@]1(O)C(=C)CCC1
Tpsa:
40.46
Logp:
0.4499
H Acceptors:
2
H Donors:
2
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: C₂₅H₃₁F₃N₄O₅
Molecular Weight: 524.53
Synonyms: None
SMILES: CC(C)(C)OC(=O)N1CC2N(CCC1)C(=NC=2C(=O)N[C@H](C(O)=O)C(C)(C)C)C3=C(F)C=C(F)C(F)=C3
Tpsa: 113.76
Logp: 4.3373
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:
C₂₅H₃₁F₃N₄O₅
Molecular Weight:
524.53
Synonyms:
None
SMILES:
CC(C)(C)OC(=O)N1CC2N(CCC1)C(=NC=2C(=O)N[C@H](C(O)=O)C(C)(C)C)C3=C(F)C=C(F)C(F)=C3
Tpsa:
113.76
Logp:
4.3373
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: C₂₆H₃₃F₃N₄O₅
Molecular Weight: 538.56
Synonyms: None
SMILES: COC(=O)[C@@H](NC(=O)C1=C2N(CCCN(C(=O)OC(C)(C)C)C2)C(=N1)C3=C(F)C=C(F)C(F)=C3)C(C)(C)C
Tpsa: 102.76
Logp: 4.4257
H Acceptors: 7
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:
C₂₆H₃₃F₃N₄O₅
Molecular Weight:
538.56
Synonyms:
None
SMILES:
COC(=O)[C@@H](NC(=O)C1=C2N(CCCN(C(=O)OC(C)(C)C)C2)C(=N1)C3=C(F)C=C(F)C(F)=C3)C(C)(C)C
Tpsa:
102.76
Logp:
4.4257
H Acceptors:
7
H Donors:
1
Rotatable Bonds:
4