舒巴坦
TL;DR: 舒巴坦 (CAS 69388-84-7) is a chemical compound with molecular formula C8H11NO5S and molecular weight 233.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
舒巴坦
(2S,5R)-3,3-dimethyl-4,4,7-trioxo-4λ6-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
Also Known As: SULBACTAM, sulbactam acid, Sulbactamum, Betamaze, Penicillanic Acid Sulfone
| Molecular Formula | C8H11NO5S |
|---|---|
| Molecular Weight | 233.04 g/mol |
| LogP | -1.0 |
| Topological Polar Surface Area | 100.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 233.0358 |
| Heavy Atoms | 15 |
| Complexity | 446.0 |
| Melting Point | 156 |
Chemical Identifiers
| CAS Number | 69388-84-7 |
|---|---|
| SMILES | CC1([C@@H](N2[C@H](S1(=O)=O)CC2=O)C(=O)O)C |
| InChIKey | FKENQMMABCRJMK-RITPCOANSA-N |
Patent-Derived Application Labels
Derived from 16 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
舒巴坦 (CAS 69388-84-7), with molecular formula C8H11NO5S and molecular weight 233.04 g/mol. IUPAC: (2S,5R)-3,3-dimethyl-4,4,7-trioxo-4λ6-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid.
Chemical Property Profile of 舒巴坦
Property Insights of 舒巴坦
The XLogP value of -1.0 indicates that 舒巴坦 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 100.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 舒巴坦. Following Lipinski's Rule of Five, 舒巴坦 has 1 hydrogen bond donor(s) and 5 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 舒巴坦?
The CAS number of 舒巴坦 is 69388-84-7.
What is the molecular formula of 舒巴坦?
The molecular formula of 舒巴坦 is C8H11NO5S.
What is the molecular weight of 舒巴坦?
The molecular weight of 舒巴坦 is 233.04 g/mol.
Where can I buy 舒巴坦?
You can request a quote for 舒巴坦 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 舒巴坦?
Yes, KEHONG BIO provides custom synthesis services for 舒巴坦 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.