青霉烷酸
TL;DR: 青霉烷酸 (CAS 87-53-6) is a chemical compound with molecular formula C8H11NO3S and molecular weight 201.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
青霉烷酸
(2S,5R)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
Also Known As: PENICILLANIC ACID, Penicillansaure, Penicillanic Acids, Acid, Penicillanic, Sulbactam Impurity 9
| Molecular Formula | C8H11NO3S |
|---|---|
| Molecular Weight | 201.05 g/mol |
| LogP | 0.3 |
| Topological Polar Surface Area | 82.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 201.04596 |
| Heavy Atoms | 13 |
| Complexity | 289.0 |
Chemical Identifiers
| CAS Number | 87-53-6 |
|---|---|
| SMILES | CC1([C@@H](N2[C@H](S1)CC2=O)C(=O)O)C |
| InChIKey | RBKMMJSQKNKNEV-RITPCOANSA-N |
Patent-Derived Application Labels
Derived from 14 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
青霉烷酸 (CAS 87-53-6), with molecular formula C8H11NO3S and molecular weight 201.05 g/mol. IUPAC: (2S,5R)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid.
Chemical Property Profile of 青霉烷酸
Property Insights of 青霉烷酸
The XLogP value of 0.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 青霉烷酸. The TPSA of 82.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 青霉烷酸. Following Lipinski's Rule of Five, 青霉烷酸 has 1 hydrogen bond donor(s) and 4 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 青霉烷酸?
The CAS number of 青霉烷酸 is 87-53-6.
What is the molecular formula of 青霉烷酸?
The molecular formula of 青霉烷酸 is C8H11NO3S.
What is the molecular weight of 青霉烷酸?
The molecular weight of 青霉烷酸 is 201.05 g/mol.
Where can I buy 青霉烷酸?
You can request a quote for 青霉烷酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 青霉烷酸?
Yes, KEHONG BIO provides custom synthesis services for 青霉烷酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.