培那西林
TL;DR: 培那西林 (CAS 983-85-7) is a chemical compound with molecular formula C19H22N2O6S and molecular weight 406.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
培那西林
acetyloxymethyl 3,3-dimethyl-7-oxo-6-[(2-phenylacetyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate
Also Known As: PENAMECILLIN, Penamecilline, Penamecillinum, Penamecilina, Cyclo(-Ala-Ala)
| Molecular Formula | C19H22N2O6S |
|---|---|
| Molecular Weight | 406.12 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 127.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 406.11984 |
| Heavy Atoms | 28 |
| Complexity | 661.0 |
Chemical Identifiers
| CAS Number | 983-85-7 |
|---|---|
| SMILES | CC(=O)OCOC(=O)C1C(SC2N1C(=O)C2NC(=O)CC3=CC=CC=C3)(C)C |
| InChIKey | NLOOMWLTUVBWAW-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 11 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
培那西林 (CAS 983-85-7), with molecular formula C19H22N2O6S and molecular weight 406.12 g/mol. IUPAC: acetyloxymethyl 3,3-dimethyl-7-oxo-6-[(2-phenylacetyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate.
Chemical Property Profile of 培那西林
Property Insights of 培那西林
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 培那西林. The TPSA of 127.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 培那西林. Following Lipinski's Rule of Five, 培那西林 has 1 hydrogen bond donor(s) and 7 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 培那西林?
The CAS number of 培那西林 is 983-85-7.
What is the molecular formula of 培那西林?
The molecular formula of 培那西林 is C19H22N2O6S.
What is the molecular weight of 培那西林?
The molecular weight of 培那西林 is 406.12 g/mol.
Where can I buy 培那西林?
You can request a quote for 培那西林 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 培那西林?
Yes, KEHONG BIO provides custom synthesis services for 培那西林 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.