Penicillin G sulfoxide
TL;DR: Penicillin G sulfoxide (CAS 4052-54-4) is a chemical compound with molecular formula C16H18N2O5S and molecular weight 350.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S,5R,6R)-3,3-dimethyl-4,7-dioxo-6-[(2-phenylacetyl)amino]-4λ4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
Also Known As: Penicillin G sulfoxide, Penicillin sulfoxide, Penicillin Impurity 8, penicillin G sulphoxide, Benzylpenicillin R-sulfoxide
| Molecular Formula | C16H18N2O5S |
|---|---|
| Molecular Weight | 350.09 g/mol |
| LogP | 0.7 |
| Topological Polar Surface Area | 123.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 350.09363 |
| Heavy Atoms | 24 |
| Complexity | 599.0 |
Chemical Identifiers
| CAS Number | 4052-54-4 |
|---|---|
| SMILES | CC1([C@@H](N2[C@H](S1=O)[C@@H](C2=O)NC(=O)CC3=CC=CC=C3)C(=O)O)C |
| InChIKey | FCZNNHHXCFARDY-WQRUCBPWSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Penicillin G sulfoxide (CAS 4052-54-4), with molecular formula C16H18N2O5S and molecular weight 350.09 g/mol. IUPAC: (2S,5R,6R)-3,3-dimethyl-4,7-dioxo-6-[(2-phenylacetyl)amino]-4λ4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid.
Chemical Property Profile of Penicillin G sulfoxide
Property Insights of Penicillin G sulfoxide
The XLogP value of 0.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Penicillin G sulfoxide. The TPSA of 123.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Penicillin G sulfoxide. Following Lipinski's Rule of Five, Penicillin G sulfoxide has 2 hydrogen bond donor(s) and 6 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 Penicillin G sulfoxide?
The CAS number of Penicillin G sulfoxide is 4052-54-4.
What is the molecular formula of Penicillin G sulfoxide?
The molecular formula of Penicillin G sulfoxide is C16H18N2O5S.
What is the molecular weight of Penicillin G sulfoxide?
The molecular weight of Penicillin G sulfoxide is 350.09 g/mol.
Where can I buy Penicillin G sulfoxide?
You can request a quote for Penicillin G sulfoxide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Penicillin G sulfoxide?
Yes, KEHONG BIO provides custom synthesis services for Penicillin G sulfoxide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.