Octenoylpenicillin
TL;DR: Octenoylpenicillin (CAS 137593-45-4) is a chemical compound with molecular formula C16H24N2O4S and molecular weight 340.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S,5R,6R)-3,3-dimethyl-6-[[(E)-oct-3-enoyl]amino]-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
Also Known As: Octenoylpenicillin, (2S,5R,6R)-3,3-dimethyl-6-[[(E)-oct-3-enoyl]amino]-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, (2S,5R,6R)-3,3-DIMETHYL-6-[(3E)-OCT-3-ENAMIDO]-7-OXO-4-THIA-1-AZABICYCLO[3.2.0]HEPTANE-2-CARBOXYLIC ACID, 4-Thia-1-azabicyclo(3.2.0)heptane-2-carboxylic acid, 3,3-dimethyl-7-oxo-6-((1-oxo-3-octenyl)amino)-, (2S-(2alpha,5alpha,6beta(E)))-, 4-Thia-1-azabicyclo(3.2.0)heptane-2-carboxylic acid,3,3-dimethyl-7-oxo-6-((1-oxo-3-octenyl)amino)-,(2S-(2alpha,5alpha,6beta(E)))
| Molecular Formula | C16H24N2O4S |
|---|---|
| Molecular Weight | 340.15 g/mol |
| LogP | 1.7546 |
| Topological Polar Surface Area | 86.71 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 340.1457 |
| Heavy Atoms | 23 |
| Complexity | 532.1733 |
Chemical Identifiers
| CAS Number | 137593-45-4 |
|---|---|
| SMILES | CCCC/C=C/CC(=O)N[C@H]1[C@@H]2N(C1=O)[C@H](C(S2)(C)C)C(=O)O |
Product Overview
Octenoylpenicillin (CAS 137593-45-4), with molecular formula C16H24N2O4S and molecular weight 340.15 g/mol. IUPAC: (2S,5R,6R)-3,3-dimethyl-6-[[(E)-oct-3-enoyl]amino]-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid.
Chemical Property Profile of Octenoylpenicillin
Property Insights of Octenoylpenicillin
The XLogP value of 1.7546 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Octenoylpenicillin. The TPSA of 86.71 Ų falls within the moderate polarity range, balancing permeability and solubility for Octenoylpenicillin. Following Lipinski's Rule of Five, Octenoylpenicillin has 2 hydrogen bond donor(s) and 4 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 Octenoylpenicillin?
The CAS number of Octenoylpenicillin is 137593-45-4.
What is the molecular formula of Octenoylpenicillin?
The molecular formula of Octenoylpenicillin is C16H24N2O4S.
What is the molecular weight of Octenoylpenicillin?
The molecular weight of Octenoylpenicillin is 340.15 g/mol.
Where can I buy Octenoylpenicillin?
You can request a quote for Octenoylpenicillin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Octenoylpenicillin?
Yes, KEHONG BIO provides custom synthesis services for Octenoylpenicillin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.