![3-[(3,5-Dimethoxybenzoyl)carbamothioylamino]-2-methylbenzoic acid structure](/static/products/4343/434307-35-4.webp)
3-[(3,5-Dimethoxybenzoyl)carbamothioylamino]-2-methylbenzoic acid
TL;DR: 3-[(3,5-Dimethoxybenzoyl)carbamothioylamino]-2-methylbenzoic acid (CAS 434307-35-4) is a chemical compound with molecular formula C18H18N2O5S and molecular weight 374.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(3,5-dimethoxybenzoyl)carbamothioylamino]-2-methylbenzoic acid
Also Known As: 3-[(3,5-dimethoxybenzoyl)carbamothioylamino]-2-methylbenzoic acid, 3-[[[(3,5-Dimethoxybenzoyl)amino]thioxomethyl]amino]-2-methylbenzoic acid, 3-({[(3,5-dimethoxyphenyl)carbonyl]carbamothioyl}amino)-2-methylbenzoic acid, 3-(3-(3,5-dimethoxybenzoyl)thioureido)-2-methylbenzoic acid, 3-[(3,5-dimethoxybenzoyl)thiocarbamoylamino]-2-methyl-benzoic Acid
| Molecular Formula | C18H18N2O5S |
|---|---|
| Molecular Weight | 374.09 g/mol |
| LogP | 2.83722 |
| Topological Polar Surface Area | 96.89 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 374.09363 |
| Heavy Atoms | 26 |
| Complexity | 844.4051 |
Chemical Identifiers
| CAS Number | 434307-35-4 |
|---|---|
| SMILES | CC1=C(C=CC=C1NC(=S)NC(=O)C2=CC(=CC(=C2)OC)OC)C(=O)O |
Product Overview
3-[(3,5-Dimethoxybenzoyl)carbamothioylamino]-2-methylbenzoic acid (CAS 434307-35-4), with molecular formula C18H18N2O5S and molecular weight 374.09 g/mol. IUPAC: 3-[(3,5-dimethoxybenzoyl)carbamothioylamino]-2-methylbenzoic acid.
Chemical Property Profile of 3-[(3,5-Dimethoxybenzoyl)carbamothioylamino]-2-methylbenzoic acid
Property Insights of 3-[(3,5-Dimethoxybenzoyl)carbamothioylamino]-2-methylbenzoic acid
The XLogP value of 2.83722 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-[(3,5-Dimethoxybenzoyl)carbamothioylamino]-2-methylbenzoic acid. The TPSA of 96.89 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-[(3,5-Dimethoxybenzoyl)carbamothioylamino]-2-methylbenzoic acid. Following Lipinski's Rule of Five, 3-[(3,5-Dimethoxybenzoyl)carbamothioylamino]-2-methylbenzoic acid has 3 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 3-[(3,5-Dimethoxybenzoyl)carbamothioylamino]-2-methylbenzoic acid?
The CAS number of 3-[(3,5-Dimethoxybenzoyl)carbamothioylamino]-2-methylbenzoic acid is 434307-35-4.
What is the molecular formula of 3-[(3,5-Dimethoxybenzoyl)carbamothioylamino]-2-methylbenzoic acid?
The molecular formula of 3-[(3,5-Dimethoxybenzoyl)carbamothioylamino]-2-methylbenzoic acid is C18H18N2O5S.
What is the molecular weight of 3-[(3,5-Dimethoxybenzoyl)carbamothioylamino]-2-methylbenzoic acid?
The molecular weight of 3-[(3,5-Dimethoxybenzoyl)carbamothioylamino]-2-methylbenzoic acid is 374.09 g/mol.
Where can I buy 3-[(3,5-Dimethoxybenzoyl)carbamothioylamino]-2-methylbenzoic acid?
You can request a quote for 3-[(3,5-Dimethoxybenzoyl)carbamothioylamino]-2-methylbenzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-[(3,5-Dimethoxybenzoyl)carbamothioylamino]-2-methylbenzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-[(3,5-Dimethoxybenzoyl)carbamothioylamino]-2-methylbenzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.