Benzylpenicillin Impurity 11
TL;DR: Benzylpenicillin Impurity 11 (CAS 118-53-6) is a chemical compound with molecular formula C14H20N2O4S and molecular weight 312.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S,5R,6R)-6-(hex-3-enoylamino)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
Also Known As: Penicillin F, Benzylpenicillin Impurity 11, (2S,5R,6R)-6-(Hex-3-enamido)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, 4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylicacid, 3,3-dimethyl-7-oxo-6-[(1-oxo-3-hexen-1-yl)amino]-, (2S,5R,6R)-
| Molecular Formula | C14H20N2O4S |
|---|---|
| Molecular Weight | 312.11 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 112.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 312.11438 |
| Heavy Atoms | 21 |
| Complexity | 503.0 |
Chemical Identifiers
| CAS Number | 118-53-6 |
|---|---|
| SMILES | CCC=CCC(=O)N[C@H]1[C@@H]2N(C1=O)[C@H](C(S2)(C)C)C(=O)O |
| InChIKey | QRLCJUNAKLMRGP-JFGNBEQYSA-N |
Product Overview
Benzylpenicillin Impurity 11 (CAS 118-53-6), with molecular formula C14H20N2O4S and molecular weight 312.11 g/mol. IUPAC: (2S,5R,6R)-6-(hex-3-enoylamino)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid.
Chemical Property Profile of Benzylpenicillin Impurity 11
Property Insights of Benzylpenicillin Impurity 11
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzylpenicillin Impurity 11. The TPSA of 112.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzylpenicillin Impurity 11. Following Lipinski's Rule of Five, Benzylpenicillin Impurity 11 has 2 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Benzylpenicillin Impurity 11?
The CAS number of Benzylpenicillin Impurity 11 is 118-53-6.
What is the molecular formula of Benzylpenicillin Impurity 11?
The molecular formula of Benzylpenicillin Impurity 11 is C14H20N2O4S.
What is the molecular weight of Benzylpenicillin Impurity 11?
The molecular weight of Benzylpenicillin Impurity 11 is 312.11 g/mol.
Where can I buy Benzylpenicillin Impurity 11?
You can request a quote for Benzylpenicillin Impurity 11 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzylpenicillin Impurity 11?
Yes, KEHONG BIO provides custom synthesis services for Benzylpenicillin Impurity 11 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.