Anthranilic acid, N-(2-thioxobenzothiazolin-3-ylmethyl)-
TL;DR: Anthranilic acid, N-(2-thioxobenzothiazolin-3-ylmethyl)- (CAS 73791-26-1) is a chemical compound with molecular formula C15H12N2O2S2 and molecular weight 316.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(2-sulfanylidene-1,3-benzothiazol-3-yl)methylamino]benzoic acid
Also Known As: NCIStruc1_001402, NCIStruc2_001336, N-(2-Thioxobenzothiazolin-3-ylmethyl)-anthranilic acid, Anthranilic acid, N-(2-thioxobenzothiazolin-3-ylmethyl)-, NCI60_041906
| Molecular Formula | C15H12N2O2S2 |
|---|---|
| Molecular Weight | 316.03 g/mol |
| LogP | 4.3 |
| Topological Polar Surface Area | 110.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 316.03403 |
| Heavy Atoms | 21 |
| Complexity | 418.0 |
Chemical Identifiers
| CAS Number | 73791-26-1 |
|---|---|
| SMILES | C1=CC=C(C(=C1)C(=O)O)NCN2C3=CC=CC=C3SC2=S |
| InChIKey | VDHLXPKGMXLEFH-UHFFFAOYSA-N |
Product Overview
Anthranilic acid, N-(2-thioxobenzothiazolin-3-ylmethyl)- (CAS 73791-26-1), with molecular formula C15H12N2O2S2 and molecular weight 316.03 g/mol. IUPAC: 2-[(2-sulfanylidene-1,3-benzothiazol-3-yl)methylamino]benzoic acid.
Chemical Property Profile of Anthranilic acid, N-(2-thioxobenzothiazolin-3-ylmethyl)-
Property Insights of Anthranilic acid, N-(2-thioxobenzothiazolin-3-ylmethyl)-
The XLogP value of 4.3 indicates that Anthranilic acid, N-(2-thioxobenzothiazolin-3-ylmethyl)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 110.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Anthranilic acid, N-(2-thioxobenzothiazolin-3-ylmethyl)-. Following Lipinski's Rule of Five, Anthranilic acid, N-(2-thioxobenzothiazolin-3-ylmethyl)- 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 Anthranilic acid, N-(2-thioxobenzothiazolin-3-ylmethyl)-?
The CAS number of Anthranilic acid, N-(2-thioxobenzothiazolin-3-ylmethyl)- is 73791-26-1.
What is the molecular formula of Anthranilic acid, N-(2-thioxobenzothiazolin-3-ylmethyl)-?
The molecular formula of Anthranilic acid, N-(2-thioxobenzothiazolin-3-ylmethyl)- is C15H12N2O2S2.
What is the molecular weight of Anthranilic acid, N-(2-thioxobenzothiazolin-3-ylmethyl)-?
The molecular weight of Anthranilic acid, N-(2-thioxobenzothiazolin-3-ylmethyl)- is 316.03 g/mol.
Where can I buy Anthranilic acid, N-(2-thioxobenzothiazolin-3-ylmethyl)-?
You can request a quote for Anthranilic acid, N-(2-thioxobenzothiazolin-3-ylmethyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Anthranilic acid, N-(2-thioxobenzothiazolin-3-ylmethyl)-?
Yes, KEHONG BIO provides custom synthesis services for Anthranilic acid, N-(2-thioxobenzothiazolin-3-ylmethyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.