Oxybicillin
TL;DR: Oxybicillin (CAS 3841-12-1) is a chemical compound with molecular formula C48H56N6O10S2 and molecular weight 940.35 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
bis((2S,6R)-3,3-dimethyl-7-oxo-6-[(2-phenylacetyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid);2-[[2-[(2-hydroxyphenyl)methylamino]ethylamino]methyl]phenol
Also Known As: Oxybicillin, Penicillin G, compd. with alpha,alpha'-(ethylenediimino)di-o-cresol, 4-Thia-1-azabicyclo(3.2.0)heptane-2-carboxylic acid, 3,3-dimethyl-7-oxo-6- (2-phenylacetamido)-, compd. with alpha,alpha'-(ethylenediimino)di-o-cresol, (2S,6R)-3,3-Dimethyl-7-oxo-6-(2-phenylacetamido)-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid--2,2'-[ethane-1,2-diylbis(azanediylmethylene)]diphenol (2/1), (2S,6R)-3,3-dimethyl-7-oxo-6-[(2-phenylacetyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid; 2-[[2-[(2-hydroxyphenyl)methylamino]ethylamino]methyl]phenol
| Molecular Formula | C48H56N6O10S2 |
|---|---|
| Molecular Weight | 940.35 g/mol |
| LogP | 3.6988 |
| Topological Polar Surface Area | 289.0 Ų |
| Hydrogen Bond Donors | 8 |
| Hydrogen Bond Acceptors | 14 |
| Rotatable Bonds | 15 |
| Exact Mass | 940.3499 |
| Heavy Atoms | 66 |
| Complexity | 767.0 |
Chemical Identifiers
| CAS Number | 3841-12-1 |
|---|---|
| SMILES | CC1([C@@H](N2C(S1)[C@@H](C2=O)NC(=O)CC3=CC=CC=C3)C(=O)O)C.CC1([C@@H](N2C(S1)[C@@H](C2=O)NC(=O)CC3=CC=CC=C3)C(=O)O)C.C1=CC=C(C(=C1)CNCCNCC2=CC=CC=C2O)O |
| InChIKey | QDCQBITXGBDDCP-WYOCMTACSA-N |
Product Overview
Oxybicillin (CAS 3841-12-1), with molecular formula C48H56N6O10S2 and molecular weight 940.35 g/mol. IUPAC: bis((2S,6R)-3,3-dimethyl-7-oxo-6-[(2-phenylacetyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid);2-[[2-[(2-hydroxyphenyl)methylamino]ethylamino]methyl]phenol.
Chemical Property Profile of Oxybicillin
Property Insights of Oxybicillin
The XLogP value of 3.6988 indicates that Oxybicillin is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 289.0 Ų indicates high polarity, suggesting Oxybicillin may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Oxybicillin has 8 hydrogen bond donor(s) and 14 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Oxybicillin?
The CAS number of Oxybicillin is 3841-12-1.
What is the molecular formula of Oxybicillin?
The molecular formula of Oxybicillin is C48H56N6O10S2.
What is the molecular weight of Oxybicillin?
The molecular weight of Oxybicillin is 940.35 g/mol.
Where can I buy Oxybicillin?
You can request a quote for Oxybicillin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Oxybicillin?
Yes, KEHONG BIO provides custom synthesis services for Oxybicillin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.