2-Mercaptobenzooxazole-5-carboxylic acid
TL;DR: 2-Mercaptobenzooxazole-5-carboxylic acid (CAS 7400-21-7) is a chemical compound with molecular formula C8H5NO3S and molecular weight 195.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-sulfanylidene-3H-1,3-benzoxazole-5-carboxylic acid
Also Known As: 2-mercaptobenzooxazole-5-carboxylic acid, 2-sulfanyl-1,3-benzoxazole-5-carboxylic acid, 2-MERCAPTOBENZO[D]OXAZOLE-5-CARBOXYLIC ACID, 2-MERCAPTO-1,3-BENZOXAZOLE-5-CARBOXYLIC ACID, 5-Benzoxazolecarboxylicacid, 2,3-dihydro-2-thioxo-
| Molecular Formula | C8H5NO3S |
|---|---|
| Molecular Weight | 195.00 g/mol |
| LogP | 2.18859 |
| Topological Polar Surface Area | 66.23 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 194.99901 |
| Heavy Atoms | 13 |
| Complexity | 525.4138 |
Chemical Identifiers
| CAS Number | 7400-21-7 |
|---|---|
| SMILES | C1=CC2=C(C=C1C(=O)O)NC(=S)O2 |
Product Overview
2-Mercaptobenzooxazole-5-carboxylic acid (CAS 7400-21-7), with molecular formula C8H5NO3S and molecular weight 195.00 g/mol. IUPAC: 2-sulfanylidene-3H-1,3-benzoxazole-5-carboxylic acid.
Chemical Property Profile of 2-Mercaptobenzooxazole-5-carboxylic acid
Property Insights of 2-Mercaptobenzooxazole-5-carboxylic acid
The XLogP value of 2.18859 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Mercaptobenzooxazole-5-carboxylic acid. The TPSA of 66.23 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Mercaptobenzooxazole-5-carboxylic acid. Following Lipinski's Rule of Five, 2-Mercaptobenzooxazole-5-carboxylic acid has 2 hydrogen bond donor(s) and 3 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-Mercaptobenzooxazole-5-carboxylic acid?
The CAS number of 2-Mercaptobenzooxazole-5-carboxylic acid is 7400-21-7.
What is the molecular formula of 2-Mercaptobenzooxazole-5-carboxylic acid?
The molecular formula of 2-Mercaptobenzooxazole-5-carboxylic acid is C8H5NO3S.
What is the molecular weight of 2-Mercaptobenzooxazole-5-carboxylic acid?
The molecular weight of 2-Mercaptobenzooxazole-5-carboxylic acid is 195.00 g/mol.
Where can I buy 2-Mercaptobenzooxazole-5-carboxylic acid?
You can request a quote for 2-Mercaptobenzooxazole-5-carboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Mercaptobenzooxazole-5-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-Mercaptobenzooxazole-5-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.