![3-({[(3-Butoxyphenyl)carbonyl]carbamothioyl}amino)-4-methylbenzoic acid structure](/static/products/4337/433706-30-0.webp)
3-({[(3-Butoxyphenyl)carbonyl]carbamothioyl}amino)-4-methylbenzoic acid
TL;DR: 3-({[(3-Butoxyphenyl)carbonyl]carbamothioyl}amino)-4-methylbenzoic acid (CAS 433706-30-0) is a chemical compound with molecular formula C20H22N2O4S and molecular weight 386.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(3-butoxybenzoyl)carbamothioylamino]-4-methylbenzoic acid
Also Known As: 3-[3-(3-Butoxy-benzoyl)-thioureido]-4-methyl-benzoic acid, 3-[(3-butoxybenzoyl)carbamothioylamino]-4-methylbenzoic acid, 3-[(3-butoxybenzoyl)thiocarbamoylamino]-4-methyl-benzoic Acid, 3-({[(3-butoxybenzoyl)amino]carbonothioyl}amino)-4-methylbenzoic acid, 3-({[(3-butoxyphenyl)carbonyl]carbamothioyl}amino)-4-methylbenzoic acid
| Molecular Formula | C20H22N2O4S |
|---|---|
| Molecular Weight | 386.13 g/mol |
| LogP | 3.99892 |
| Topological Polar Surface Area | 87.66 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 386.13004 |
| Heavy Atoms | 27 |
| Complexity | 851.6254 |
Chemical Identifiers
| CAS Number | 433706-30-0 |
|---|---|
| SMILES | CCCCOC1=CC=CC(=C1)C(=O)NC(=S)NC2=C(C=CC(=C2)C(=O)O)C |
Product Overview
3-({[(3-Butoxyphenyl)carbonyl]carbamothioyl}amino)-4-methylbenzoic acid (CAS 433706-30-0), with molecular formula C20H22N2O4S and molecular weight 386.13 g/mol. IUPAC: 3-[(3-butoxybenzoyl)carbamothioylamino]-4-methylbenzoic acid.
Chemical Property Profile of 3-({[(3-Butoxyphenyl)carbonyl]carbamothioyl}amino)-4-methylbenzoic acid
Property Insights of 3-({[(3-Butoxyphenyl)carbonyl]carbamothioyl}amino)-4-methylbenzoic acid
The XLogP value of 3.99892 indicates that 3-({[(3-Butoxyphenyl)carbonyl]carbamothioyl}amino)-4-methylbenzoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 87.66 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-({[(3-Butoxyphenyl)carbonyl]carbamothioyl}amino)-4-methylbenzoic acid. Following Lipinski's Rule of Five, 3-({[(3-Butoxyphenyl)carbonyl]carbamothioyl}amino)-4-methylbenzoic acid has 3 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 3-({[(3-Butoxyphenyl)carbonyl]carbamothioyl}amino)-4-methylbenzoic acid?
The CAS number of 3-({[(3-Butoxyphenyl)carbonyl]carbamothioyl}amino)-4-methylbenzoic acid is 433706-30-0.
What is the molecular formula of 3-({[(3-Butoxyphenyl)carbonyl]carbamothioyl}amino)-4-methylbenzoic acid?
The molecular formula of 3-({[(3-Butoxyphenyl)carbonyl]carbamothioyl}amino)-4-methylbenzoic acid is C20H22N2O4S.
What is the molecular weight of 3-({[(3-Butoxyphenyl)carbonyl]carbamothioyl}amino)-4-methylbenzoic acid?
The molecular weight of 3-({[(3-Butoxyphenyl)carbonyl]carbamothioyl}amino)-4-methylbenzoic acid is 386.13 g/mol.
Where can I buy 3-({[(3-Butoxyphenyl)carbonyl]carbamothioyl}amino)-4-methylbenzoic acid?
You can request a quote for 3-({[(3-Butoxyphenyl)carbonyl]carbamothioyl}amino)-4-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-Butoxyphenyl)carbonyl]carbamothioyl}amino)-4-methylbenzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-({[(3-Butoxyphenyl)carbonyl]carbamothioyl}amino)-4-methylbenzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.