![2-[3-(2-Methyl-benzoyl)-thioureido]-benzoic acid methyl ester structure](/static/products/3337/333740-46-8.webp)
2-[3-(2-Methyl-benzoyl)-thioureido]-benzoic acid methyl ester
TL;DR: 2-[3-(2-Methyl-benzoyl)-thioureido]-benzoic acid methyl ester (CAS 333740-46-8) is a chemical compound with molecular formula C17H16N2O3S and molecular weight 328.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[(2-methylbenzoyl)carbamothioylamino]benzoate
Also Known As: BAS 02820597, methyl 2-[(2-methylbenzoyl)carbamothioylamino]benzoate, 2-[3-(2-Methyl-benzoyl)-thioureido]-benzoic acid methyl ester, methyl 2-(3-(2-methylbenzoyl)thioureido)benzoate, 2-(o-toluoylthiocarbamoylamino)benzoic acid methyl ester
| Molecular Formula | C17H16N2O3S |
|---|---|
| Molecular Weight | 328.09 g/mol |
| LogP | 2.90842 |
| Topological Polar Surface Area | 67.43 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 328.08817 |
| Heavy Atoms | 23 |
| Complexity | 759.0086 |
Chemical Identifiers
| CAS Number | 333740-46-8 |
|---|---|
| SMILES | CC1=CC=CC=C1C(=O)NC(=S)NC2=CC=CC=C2C(=O)OC |
Product Overview
2-[3-(2-Methyl-benzoyl)-thioureido]-benzoic acid methyl ester (CAS 333740-46-8), with molecular formula C17H16N2O3S and molecular weight 328.09 g/mol. IUPAC: methyl 2-[(2-methylbenzoyl)carbamothioylamino]benzoate.
Chemical Property Profile of 2-[3-(2-Methyl-benzoyl)-thioureido]-benzoic acid methyl ester
Property Insights of 2-[3-(2-Methyl-benzoyl)-thioureido]-benzoic acid methyl ester
The XLogP value of 2.90842 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-[3-(2-Methyl-benzoyl)-thioureido]-benzoic acid methyl ester. The TPSA of 67.43 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[3-(2-Methyl-benzoyl)-thioureido]-benzoic acid methyl ester. Following Lipinski's Rule of Five, 2-[3-(2-Methyl-benzoyl)-thioureido]-benzoic acid methyl ester has 2 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 2-[3-(2-Methyl-benzoyl)-thioureido]-benzoic acid methyl ester?
The CAS number of 2-[3-(2-Methyl-benzoyl)-thioureido]-benzoic acid methyl ester is 333740-46-8.
What is the molecular formula of 2-[3-(2-Methyl-benzoyl)-thioureido]-benzoic acid methyl ester?
The molecular formula of 2-[3-(2-Methyl-benzoyl)-thioureido]-benzoic acid methyl ester is C17H16N2O3S.
What is the molecular weight of 2-[3-(2-Methyl-benzoyl)-thioureido]-benzoic acid methyl ester?
The molecular weight of 2-[3-(2-Methyl-benzoyl)-thioureido]-benzoic acid methyl ester is 328.09 g/mol.
Where can I buy 2-[3-(2-Methyl-benzoyl)-thioureido]-benzoic acid methyl ester?
You can request a quote for 2-[3-(2-Methyl-benzoyl)-thioureido]-benzoic acid methyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[3-(2-Methyl-benzoyl)-thioureido]-benzoic acid methyl ester?
Yes, KEHONG BIO provides custom synthesis services for 2-[3-(2-Methyl-benzoyl)-thioureido]-benzoic acid methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.