CS-0497926
(2S,5R,6R)-6-(2-(4-Hydroxyphenyl)acetamido)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid Penicillin Impurity
Manufacturer: ChemScene
CAS Number: 525-91-7
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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
C₁₆H₁₈N₂O₅S
Molecular Weight
350.39
Synonyms
Penicillin X
SMILES
O=C(N[C@@]1([H])[C@](SC(C)(C)[C@]2([H])C(O)=O)([H])N2C1=O)CC3=CC=C(O)C=C3
Tpsa
106.94
Logp
0.5664
H Acceptors
5
H Donors
3
Rotatable Bonds
4
Other Options
| Image | Product Name | Manufacturer | Price Range | |
|---|---|---|---|---|
 | 525-91-7 | penicillin X | A2B Chem | -- |
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SAFETY INFORMATION
ghsPictogramUrl
https://dev-s3.chemscene.com/web-image/physicalization/health-hazard.svg
Pictograms
Signal Word
Warning
UN Number
N/A
Class
N/A
Packing Group
N/A
Hazard Statements
Precautionary Statements
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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: C₁₆H₁₈N₂O₅S
Molecular Weight: 350.39
Synonyms: Penicillin X
SMILES: O=C(N[C@@]1([H])[C@](SC(C)(C)[C@]2([H])C(O)=O)([H])N2C1=O)CC3=CC=C(O)C=C3
Tpsa: 106.94
Logp: 0.5664
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:
C₁₆H₁₈N₂O₅S
Molecular Weight:
350.39
Synonyms:
Penicillin X
SMILES:
O=C(N[C@@]1([H])[C@](SC(C)(C)[C@]2([H])C(O)=O)([H])N2C1=O)CC3=CC=C(O)C=C3
Tpsa:
106.94
Logp:
0.5664
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: C₁₅H₂₀ClNO₄
Molecular Weight: 313.78
Synonyms: None
SMILES: O=C(OC)[C@H](CC1=CC=C(Cl)C=C1)NC(OC(C)(C)C)=O
Tpsa: 64.63
Logp: 2.9488
H Acceptors: 4
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:
C₁₅H₂₀ClNO₄
Molecular Weight:
313.78
Synonyms:
None
SMILES:
O=C(OC)[C@H](CC1=CC=C(Cl)C=C1)NC(OC(C)(C)C)=O
Tpsa:
64.63
Logp:
2.9488
H Acceptors:
4
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: C₁₆H₂₀N₄O₄S₃
Molecular Weight: 428.55
Synonyms: None
SMILES: OC(C1=C(CSC2=NN=C(C)S2)CS[C@@]([C@@H]3NC(C(C)(C)C)=O)([H])N1C3=O)=O
Tpsa: 112.49
Logp: 1.72332
H Acceptors: 8
H Donors: 2
Rotatable Bonds: 5
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₆H₂₀N₄O₄S₃
Molecular Weight:
428.55
Synonyms:
None
SMILES:
OC(C1=C(CSC2=NN=C(C)S2)CS[C@@]([C@@H]3NC(C(C)(C)C)=O)([H])N1C3=O)=O
Tpsa:
112.49
Logp:
1.72332
H Acceptors:
8
H Donors:
2
Rotatable Bonds:
5
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₆H₁₈N₂O₄S
Molecular Weight: 334.39
Synonyms: Benzylpenillic acid
SMILES: O=C(C1N(C(CC2=CC=CC=C2)=NC3C(O)=O)C3SC1(C)C)O
Tpsa: 90.2
Logp: 1.7011
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:
C₁₆H₁₈N₂O₄S
Molecular Weight:
334.39
Synonyms:
Benzylpenillic acid
SMILES:
O=C(C1N(C(CC2=CC=CC=C2)=NC3C(O)=O)C3SC1(C)C)O
Tpsa:
90.2
Logp:
1.7011
H Acceptors:
5
H Donors:
2
Rotatable Bonds:
4