CS-0802524
Methyl 2-[(6S,9R)-9-(tert-butoxycarbonylamino)-6-(2,3-difluorophenyl)-6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepin-3-yl]acetate
Manufacturer: ChemScene
CAS Number: 885032-45-1
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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
C₂₂H₂₇F₂N₃O₄
Molecular Weight
435.46
Synonyms
None
SMILES
COC(=O)CC1N2C(=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
4.0202
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: C₂₂H₂₇F₂N₃O₄
Molecular Weight: 435.46
Synonyms: None
SMILES: COC(=O)CC1N2C(=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: 4.0202
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:
C₂₂H₂₇F₂N₃O₄
Molecular Weight:
435.46
Synonyms:
None
SMILES:
COC(=O)CC1N2C(=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:
4.0202
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: C₁₈H₂₀FN₃O₄
Molecular Weight: 361.37
Synonyms: None
SMILES: CC(C)(C)OC(=O)N1C(C(O)=O)CN2C(C1)=NC(C3=C(F)C=CC=C3)=C2
Tpsa: 84.66
Logp: 2.8931
H Acceptors: 5
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:
C₁₈H₂₀FN₃O₄
Molecular Weight:
361.37
Synonyms:
None
SMILES:
CC(C)(C)OC(=O)N1C(C(O)=O)CN2C(C1)=NC(C3=C(F)C=CC=C3)=C2
Tpsa:
84.66
Logp:
2.8931
H Acceptors:
5
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: C₁₆H₁₉F₂NO₄
Molecular Weight: 327.32
Synonyms: None
SMILES: C1=CC=C(C=C1)COC(=O)N[C@H]2C(F)(F)CC[C@H](C(O)=O)CC2
Tpsa: 75.63
Logp: 3.1915
H Acceptors: 3
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:
C₁₆H₁₉F₂NO₄
Molecular Weight:
327.32
Synonyms:
None
SMILES:
C1=CC=C(C=C1)COC(=O)N[C@H]2C(F)(F)CC[C@H](C(O)=O)CC2
Tpsa:
75.63
Logp:
3.1915
H Acceptors:
3
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: C₁₃H₂₁F₂NO₄
Molecular Weight: 293.31
Synonyms: None
SMILES: OC(=O)[C@H]1CCC(F)(F)[C@@H](CC1)NC(=O)OC(C)(C)C
Tpsa: 75.63
Logp: 2.7898
H Acceptors: 3
H Donors: 2
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:
C₁₃H₂₁F₂NO₄
Molecular Weight:
293.31
Synonyms:
None
SMILES:
OC(=O)[C@H]1CCC(F)(F)[C@@H](CC1)NC(=O)OC(C)(C)C
Tpsa:
75.63
Logp:
2.7898
H Acceptors:
3
H Donors:
2
Rotatable Bonds:
2