2-亚磺酰苯甲酸
TL;DR: 2-亚磺酰苯甲酸 (CAS 13165-80-5) is a chemical compound with molecular formula C7H6O4S and molecular weight 186.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-亚磺酰苯甲酸
2-sulfinobenzoic acid
Also Known As: 2-Sulfinobenzoic acid, o-sulfinobenzoic acid, Meloxicam Impurity 6, Meloxicam Impurity 9, Benzoicacid, 2-sulfino-
| Molecular Formula | C7H6O4S |
|---|---|
| Molecular Weight | 186.00 g/mol |
| LogP | 0.6 |
| Topological Polar Surface Area | 93.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 185.99867 |
| Heavy Atoms | 12 |
| Complexity | 204.0 |
Chemical Identifiers
| CAS Number | 13165-80-5 |
|---|---|
| SMILES | C1=CC=C(C(=C1)C(=O)O)S(=O)O |
| InChIKey | KRSZKHITONYRDD-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-亚磺酰苯甲酸 (CAS 13165-80-5), with molecular formula C7H6O4S and molecular weight 186.00 g/mol. IUPAC: 2-sulfinobenzoic acid.
Chemical Property Profile of 2-亚磺酰苯甲酸
Property Insights of 2-亚磺酰苯甲酸
The XLogP value of 0.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-亚磺酰苯甲酸. The TPSA of 93.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-亚磺酰苯甲酸. Following Lipinski's Rule of Five, 2-亚磺酰苯甲酸 has 2 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 2-亚磺酰苯甲酸?
The CAS number of 2-亚磺酰苯甲酸 is 13165-80-5.
What is the molecular formula of 2-亚磺酰苯甲酸?
The molecular formula of 2-亚磺酰苯甲酸 is C7H6O4S.
What is the molecular weight of 2-亚磺酰苯甲酸?
The molecular weight of 2-亚磺酰苯甲酸 is 186.00 g/mol.
Where can I buy 2-亚磺酰苯甲酸?
You can request a quote for 2-亚磺酰苯甲酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-亚磺酰苯甲酸?
Yes, KEHONG BIO provides custom synthesis services for 2-亚磺酰苯甲酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.