![Methyl 4-({[(3,4-dimethylphenyl)carbonyl]carbamothioyl}amino)benzoate structure](/static/products/3352/335213-46-2.webp)
Methyl 4-({[(3,4-dimethylphenyl)carbonyl]carbamothioyl}amino)benzoate
TL;DR: Methyl 4-({[(3,4-dimethylphenyl)carbonyl]carbamothioyl}amino)benzoate (CAS 335213-46-2) is a chemical compound with molecular formula C18H18N2O3S and molecular weight 342.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-[(3,4-dimethylbenzoyl)carbamothioylamino]benzoate
Also Known As: BAS 02818573, AB00106966-01, methyl 4-[(3,4-dimethylbenzoyl)carbamothioylamino]benzoate, methyl 4-({[(3,4-dimethylphenyl)carbonyl]carbamothioyl}amino)benzoate, methyl 4-(3-(3,4-dimethylbenzoyl)thioureido)benzoate
| Molecular Formula | C18H18N2O3S |
|---|---|
| Molecular Weight | 342.10 g/mol |
| LogP | 3.21684 |
| Topological Polar Surface Area | 67.43 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 342.10382 |
| Heavy Atoms | 24 |
| Complexity | 785.35095 |
Chemical Identifiers
| CAS Number | 335213-46-2 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC=C(C=C2)C(=O)OC)C |
Product Overview
Methyl 4-({[(3,4-dimethylphenyl)carbonyl]carbamothioyl}amino)benzoate (CAS 335213-46-2), with molecular formula C18H18N2O3S and molecular weight 342.10 g/mol. IUPAC: methyl 4-[(3,4-dimethylbenzoyl)carbamothioylamino]benzoate.
Chemical Property Profile of Methyl 4-({[(3,4-dimethylphenyl)carbonyl]carbamothioyl}amino)benzoate
Property Insights of Methyl 4-({[(3,4-dimethylphenyl)carbonyl]carbamothioyl}amino)benzoate
The XLogP value of 3.21684 indicates that Methyl 4-({[(3,4-dimethylphenyl)carbonyl]carbamothioyl}amino)benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 67.43 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 4-({[(3,4-dimethylphenyl)carbonyl]carbamothioyl}amino)benzoate. Following Lipinski's Rule of Five, Methyl 4-({[(3,4-dimethylphenyl)carbonyl]carbamothioyl}amino)benzoate 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 Methyl 4-({[(3,4-dimethylphenyl)carbonyl]carbamothioyl}amino)benzoate?
The CAS number of Methyl 4-({[(3,4-dimethylphenyl)carbonyl]carbamothioyl}amino)benzoate is 335213-46-2.
What is the molecular formula of Methyl 4-({[(3,4-dimethylphenyl)carbonyl]carbamothioyl}amino)benzoate?
The molecular formula of Methyl 4-({[(3,4-dimethylphenyl)carbonyl]carbamothioyl}amino)benzoate is C18H18N2O3S.
What is the molecular weight of Methyl 4-({[(3,4-dimethylphenyl)carbonyl]carbamothioyl}amino)benzoate?
The molecular weight of Methyl 4-({[(3,4-dimethylphenyl)carbonyl]carbamothioyl}amino)benzoate is 342.10 g/mol.
Where can I buy Methyl 4-({[(3,4-dimethylphenyl)carbonyl]carbamothioyl}amino)benzoate?
You can request a quote for Methyl 4-({[(3,4-dimethylphenyl)carbonyl]carbamothioyl}amino)benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 4-({[(3,4-dimethylphenyl)carbonyl]carbamothioyl}amino)benzoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 4-({[(3,4-dimethylphenyl)carbonyl]carbamothioyl}amino)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.