CS-0571455
Benzhydryl (6R,7R)-3-(chloromethyl)-7-(4-methylbenzamido)-8-oxo-5-oxa-1-azabicyclo[4.2.0]Oct-2-烯-2-carboxylate
Manufacturer: ChemScene
CAS Number: 91177-27-4
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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
C₂₉H₂₅ClN₂O₅
Molecular Weight
516.97
Synonyms
Flomoxef Impurity 17
SMILES
CC1=CC=C(C=C1)C(=O)N[C@@H]2[C@@H]3N(C2=O)C(=C(CO3)CCl)C(=O)OC(C4=CC=CC=C4)C5=CC=CC=C5
Tpsa
84.94
Logp
4.11762
H Acceptors
5
H Donors
1
Rotatable Bonds
7
SAFETY INFORMATION
ghsPictogramUrl
https://dev-s3.chemscene.com/web-image/physicalization/irritant.svg
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: C₂₉H₂₅ClN₂O₅
Molecular Weight: 516.97
Synonyms: Flomoxef Impurity 17
SMILES: CC1=CC=C(C=C1)C(=O)N[C@@H]2[C@@H]3N(C2=O)C(=C(CO3)CCl)C(=O)OC(C4=CC=CC=C4)C5=CC=CC=C5
Tpsa: 84.94
Logp: 4.11762
H Acceptors: 5
H Donors: 1
Rotatable Bonds: 7
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₂₉H₂₅ClN₂O₅
Molecular Weight:
516.97
Synonyms:
Flomoxef Impurity 17
SMILES:
CC1=CC=C(C=C1)C(=O)N[C@@H]2[C@@H]3N(C2=O)C(=C(CO3)CCl)C(=O)OC(C4=CC=CC=C4)C5=CC=CC=C5
Tpsa:
84.94
Logp:
4.11762
H Acceptors:
5
H Donors:
1
Rotatable Bonds:
7
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₄H₁₆O₃
Molecular Weight: 232.28
Synonyms: 6-[(E)-2-(1,5-Cyclohexadien-1-yl)vinyl]-4-methoxy-5,6-dihydro-2H-pyran-2-one
SMILES: COC1=CC(=O)OC(C1)/C=C/C2=CCCC=C2
Tpsa: 35.53
Logp: 2.6648
H Acceptors: 3
H Donors: 0
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:
C₁₄H₁₆O₃
Molecular Weight:
232.28
Synonyms:
6-[(E)-2-(1,5-Cyclohexadien-1-yl)vinyl]-4-methoxy-5,6-dihydro-2H-pyran-2-one
SMILES:
COC1=CC(=O)OC(C1)/C=C/C2=CCCC=C2
Tpsa:
35.53
Logp:
2.6648
H Acceptors:
3
H Donors:
0
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: C₉H₇F₄NO₂
Molecular Weight: 237.15
Synonyms: methyl 2-fluoro-5-(trifluoromethyl)nicotinate1227576-19-3
SMILES: O=C(OCC)C1=C(F)N=CC(C(F)(F)F)=C1
Tpsa: 39.19
Logp: 2.4162
H Acceptors: 3
H Donors: 0
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:
C₉H₇F₄NO₂
Molecular Weight:
237.15
Synonyms:
methyl 2-fluoro-5-(trifluoromethyl)nicotinate1227576-19-3
SMILES:
O=C(OCC)C1=C(F)N=CC(C(F)(F)F)=C1
Tpsa:
39.19
Logp:
2.4162
H Acceptors:
3
H Donors:
0
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: C₁₂H₁₆O₂
Molecular Weight: 192.25
Synonyms: α-(tert-butyl)phenylacetic acid
SMILES: CC(C)(C)C(C1=CC=CC=C1)C(=O)O
Tpsa: 37.3
Logp: 2.9009
H Acceptors: 1
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:
C₁₂H₁₆O₂
Molecular Weight:
192.25
Synonyms:
α-(tert-butyl)phenylacetic acid
SMILES:
CC(C)(C)C(C1=CC=CC=C1)C(=O)O
Tpsa:
37.3
Logp:
2.9009
H Acceptors:
1
H Donors:
1
Rotatable Bonds:
2