penicillin G 1-oxide
TL;DR: penicillin G 1-oxide (CAS 34104-15-9) 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.
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 1-oxide, Penicillin G sulfoxide, Benzylpenicillin S-sulfoxide, BAS 08330586, 6beta-Phenylacetamidopenicillanic acid 1beta-oxide
| 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 | 34104-15-9 |
|---|---|
| SMILES | CC1(C(N2C(S1=O)C(C2=O)NC(=O)CC3=CC=CC=C3)C(=O)O)C |
| InChIKey | FCZNNHHXCFARDY-UHFFFAOYSA-N |
Product Overview
penicillin G 1-oxide (CAS 34104-15-9), with molecular formula C16H18N2O5S and molecular weight 350.09 g/mol. IUPAC: 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 1-oxide
Property Insights of penicillin G 1-oxide
The XLogP value of 0.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for penicillin G 1-oxide. The TPSA of 123.0 Ų falls within the moderate polarity range, balancing permeability and solubility for penicillin G 1-oxide. Following Lipinski's Rule of Five, penicillin G 1-oxide 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 1-oxide?
The CAS number of penicillin G 1-oxide is 34104-15-9.
What is the molecular formula of penicillin G 1-oxide?
The molecular formula of penicillin G 1-oxide is C16H18N2O5S.
What is the molecular weight of penicillin G 1-oxide?
The molecular weight of penicillin G 1-oxide is 350.09 g/mol.
Where can I buy penicillin G 1-oxide?
You can request a quote for penicillin G 1-oxide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for penicillin G 1-oxide?
Yes, KEHONG BIO provides custom synthesis services for penicillin G 1-oxide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.