Oxetacillin
TL;DR: Oxetacillin (CAS 53861-02-2) is a chemical compound with molecular formula C19H23N3O5S and molecular weight 405.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S,5R,6R)-6-[(4R)-4-(4-hydroxyphenyl)-2,2-dimethyl-5-oxoimidazolidin-1-yl]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
Also Known As: Oxetacillin, Oxetacilline, Hetamoxicillin, Oxetacillinum, Heta-amoxicillin
| Molecular Formula | C19H23N3O5S |
|---|---|
| Molecular Weight | 405.14 g/mol |
| LogP | 1.1167 |
| Topological Polar Surface Area | 110.18 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 405.13583 |
| Heavy Atoms | 28 |
| Complexity | 868.825 |
Chemical Identifiers
| CAS Number | 53861-02-2 |
|---|---|
| SMILES | CC1([C@@H](N2[C@H](S1)[C@@H](C2=O)N3C(=O)[C@H](NC3(C)C)C4=CC=C(C=C4)O)C(=O)O)C |
Product Overview
Oxetacillin (CAS 53861-02-2), with molecular formula C19H23N3O5S and molecular weight 405.14 g/mol. IUPAC: (2S,5R,6R)-6-[(4R)-4-(4-hydroxyphenyl)-2,2-dimethyl-5-oxoimidazolidin-1-yl]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid.
Chemical Property Profile of Oxetacillin
Property Insights of Oxetacillin
The XLogP value of 1.1167 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Oxetacillin. The TPSA of 110.18 Ų falls within the moderate polarity range, balancing permeability and solubility for Oxetacillin. Following Lipinski's Rule of Five, Oxetacillin has 3 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 Oxetacillin?
The CAS number of Oxetacillin is 53861-02-2.
What is the molecular formula of Oxetacillin?
The molecular formula of Oxetacillin is C19H23N3O5S.
What is the molecular weight of Oxetacillin?
The molecular weight of Oxetacillin is 405.14 g/mol.
Where can I buy Oxetacillin?
You can request a quote for Oxetacillin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Oxetacillin?
Yes, KEHONG BIO provides custom synthesis services for Oxetacillin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.