Sulbenicillin
TL;DR: Sulbenicillin (CAS 34779-28-7) is a chemical compound with molecular formula C16H18N2O7S2 and molecular weight 414.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S,5R,6R)-3,3-dimethyl-7-oxo-6-[(2-phenyl-2-sulfoacetyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
Also Known As: Sulbenicillin, Sulbenicilina, Sulbenicilline, Sulbenicillinum, Kedacillin
| Molecular Formula | C16H18N2O7S2 |
|---|---|
| Molecular Weight | 414.06 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 175.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 414.05554 |
| Heavy Atoms | 27 |
| Complexity | 755.0 |
Chemical Identifiers
| CAS Number | 34779-28-7 |
|---|---|
| SMILES | CC1([C@@H](N2[C@H](S1)[C@@H](C2=O)NC(=O)C(C3=CC=CC=C3)S(=O)(=O)O)C(=O)O)C |
| InChIKey | JETQIUPBHQNHNZ-OAYJICASSA-N |
Patent-Derived Application Labels
Derived from 15 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Sulbenicillin (CAS 34779-28-7), with molecular formula C16H18N2O7S2 and molecular weight 414.06 g/mol. IUPAC: (2S,5R,6R)-3,3-dimethyl-7-oxo-6-[(2-phenyl-2-sulfoacetyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid.
Chemical Property Profile of Sulbenicillin
Property Insights of Sulbenicillin
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Sulbenicillin. The TPSA of 175.0 Ų indicates high polarity, suggesting Sulbenicillin may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Sulbenicillin has 3 hydrogen bond donor(s) and 8 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 Sulbenicillin?
The CAS number of Sulbenicillin is 34779-28-7.
What is the molecular formula of Sulbenicillin?
The molecular formula of Sulbenicillin is C16H18N2O7S2.
What is the molecular weight of Sulbenicillin?
The molecular weight of Sulbenicillin is 414.06 g/mol.
Where can I buy Sulbenicillin?
You can request a quote for Sulbenicillin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Sulbenicillin?
Yes, KEHONG BIO provides custom synthesis services for Sulbenicillin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.