CS-0802515
Methyl (6S,9R)-9-((tert-butoxycarbonyl)amino)-6-(2,3-difluorophenyl)-6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepine-3-carboxylate
Manufacturer: ChemScene
CAS Number: 885032-83-7
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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
C₂₁H₂₅F₂N₃O₄
Molecular Weight
421.44
Synonyms
None
SMILES
COC(=O)C1N2C(=NC=1)[C@@H](CC[C@H](C2)C3=C(F)C(F)=CC=C3)NC(=O)OC(C)(C)C
Tpsa
82.45
Logp
4.0913
H Acceptors
6
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: C₂₁H₂₅F₂N₃O₄
Molecular Weight: 421.44
Synonyms: None
SMILES: COC(=O)C1N2C(=NC=1)[C@@H](CC[C@H](C2)C3=C(F)C(F)=CC=C3)NC(=O)OC(C)(C)C
Tpsa: 82.45
Logp: 4.0913
H Acceptors: 6
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:
C₂₁H₂₅F₂N₃O₄
Molecular Weight:
421.44
Synonyms:
None
SMILES:
COC(=O)C1N2C(=NC=1)[C@@H](CC[C@H](C2)C3=C(F)C(F)=CC=C3)NC(=O)OC(C)(C)C
Tpsa:
82.45
Logp:
4.0913
H Acceptors:
6
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: C₂₁H₂₅F₂N₃O₃
Molecular Weight: 405.44
Synonyms: None
SMILES: CC(C)(C)OC(=O)N[C@H]1C2N(C[C@@H](CC1)C3=C(F)C(F)=CC=C3)C(C(C)=O)=CN=2
Tpsa: 73.22
Logp: 4.5073
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:
C₂₁H₂₅F₂N₃O₃
Molecular Weight:
405.44
Synonyms:
None
SMILES:
CC(C)(C)OC(=O)N[C@H]1C2N(C[C@@H](CC1)C3=C(F)C(F)=CC=C3)C(C(C)=O)=CN=2
Tpsa:
73.22
Logp:
4.5073
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: C₂₃H₃₁F₂N₃O₃
Molecular Weight: 435.51
Synonyms: None
SMILES: CC(C)(C)OC(=O)N[C@H]1C2N(C[C@@H](CC1)C3=C(F)C(F)=CC=C3)C(CC(C)(C)O)=CN=2
Tpsa: 76.38
Logp: 4.6181
H Acceptors: 5
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:
C₂₃H₃₁F₂N₃O₃
Molecular Weight:
435.51
Synonyms:
None
SMILES:
CC(C)(C)OC(=O)N[C@H]1C2N(C[C@@H](CC1)C3=C(F)C(F)=CC=C3)C(CC(C)(C)O)=CN=2
Tpsa:
76.38
Logp:
4.6181
H Acceptors:
5
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: C₂₁H₂₇F₂N₃O₃
Molecular Weight: 407.45
Synonyms: None
SMILES: OCCC1N2C(=NC=1)[C@@H](CC[C@H](C2)C3=C(F)C(F)=CC=C3)NC(=O)OC(C)(C)C
Tpsa: 76.38
Logp: 3.8395
H Acceptors: 5
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:
C₂₁H₂₇F₂N₃O₃
Molecular Weight:
407.45
Synonyms:
None
SMILES:
OCCC1N2C(=NC=1)[C@@H](CC[C@H](C2)C3=C(F)C(F)=CC=C3)NC(=O)OC(C)(C)C
Tpsa:
76.38
Logp:
3.8395
H Acceptors:
5
H Donors:
2
Rotatable Bonds:
4