CS-0497768
(6R,7R)-3-(Acetoxymethyl)-7-((6R,7R)-3-(acetoxymethyl)-7-amino-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxamido)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid 7-ACA Impurity
Manufacturer: ChemScene
CAS Number: None
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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
C₂₀H₂₂N₄O₉S₂
Molecular Weight
526.54
Synonyms
None
SMILES
O=C([C@@]1([H])N)N2[C@]1([H])SCC(COC(C)=O)=C2C(N[C@]3([H])C(N4[C@]3([H])SCC(COC(C)=O)=C4C(O)=O)=O)=O
Tpsa
185.64
Logp
-1.6523
H Acceptors
11
H Donors
3
Rotatable Bonds
7
Other Options
...
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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: C₂₀H₂₂N₄O₉S₂
Molecular Weight: 526.54
Synonyms: None
SMILES: O=C([C@@]1([H])N)N2[C@]1([H])SCC(COC(C)=O)=C2C(N[C@]3([H])C(N4[C@]3([H])SCC(COC(C)=O)=C4C(O)=O)=O)=O
Tpsa: 185.64
Logp: -1.6523
H Acceptors: 11
H Donors: 3
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:
C₂₀H₂₂N₄O₉S₂
Molecular Weight:
526.54
Synonyms:
None
SMILES:
O=C([C@@]1([H])N)N2[C@]1([H])SCC(COC(C)=O)=C2C(N[C@]3([H])C(N4[C@]3([H])SCC(COC(C)=O)=C4C(O)=O)=O)=O
Tpsa:
185.64
Logp:
-1.6523
H Acceptors:
11
H Donors:
3
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: C₁₆H₁₇N₃O₄S
Molecular Weight: 347.39
Synonyms: (6R,7R)-7-[[(2R)-2-amino-2-phenylacetyl]amino]-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-3-ene-2-carboxylic acid
SMILES: O=C([C@@]1([H])NC([C@H](N)C2=CC=CC=C2)=O)N3[C@]1([H])SC=C(C)C3C(O)=O
Tpsa: 112.73
Logp: 0.4433
H Acceptors: 5
H Donors: 3
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:
C₁₆H₁₇N₃O₄S
Molecular Weight:
347.39
Synonyms:
(6R,7R)-7-[[(2R)-2-amino-2-phenylacetyl]amino]-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-3-ene-2-carboxylic acid
SMILES:
O=C([C@@]1([H])NC([C@H](N)C2=CC=CC=C2)=O)N3[C@]1([H])SC=C(C)C3C(O)=O
Tpsa:
112.73
Logp:
0.4433
H Acceptors:
5
H Donors:
3
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: C₁₆H₁₇N₃O₅S
Molecular Weight: 363.39
Synonyms: Cephalexin Sulfoxide Trifluoroacetic Acid Salt
SMILES: N[C@H](C1=CC=CC=C1)C(N[C@H]2[C@]3([H])N(C(C(O)=O)=C(CS3=O)C)C2=O)=O
Tpsa: 129.8
Logp: -0.5396
H Acceptors: 5
H Donors: 3
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:
C₁₆H₁₇N₃O₅S
Molecular Weight:
363.39
Synonyms:
Cephalexin Sulfoxide Trifluoroacetic Acid Salt
SMILES:
N[C@H](C1=CC=CC=C1)C(N[C@H]2[C@]3([H])N(C(C(O)=O)=C(CS3=O)C)C2=O)=O
Tpsa:
129.8
Logp:
-0.5396
H Acceptors:
5
H Donors:
3
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: C₂₇H₃₁N₅O₈S₂
Molecular Weight: 617.69
Synonyms: None
SMILES: CC1=C(C(N[C@]([C@@]2([H])SC(C)(C)[C@]([H])(C(O)=O)N2)([H])C(N[C@]3([H])C(N4[C@]3([H])SC(C)(C)[C@]4([H])C(O)=O)=O)=O)=O)C(C5=CC=CC=C5)=NO1
Tpsa: 191.17
Logp: 1.27442
H Acceptors: 10
H Donors: 5
Rotatable Bonds: 8
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₂₇H₃₁N₅O₈S₂
Molecular Weight:
617.69
Synonyms:
None
SMILES:
CC1=C(C(N[C@]([C@@]2([H])SC(C)(C)[C@]([H])(C(O)=O)N2)([H])C(N[C@]3([H])C(N4[C@]3([H])SC(C)(C)[C@]4([H])C(O)=O)=O)=O)=O)C(C5=CC=CC=C5)=NO1
Tpsa:
191.17
Logp:
1.27442
H Acceptors:
10
H Donors:
5
Rotatable Bonds:
8