![Methyl 2-[(4-tert-butylbenzoyl)carbamothioylamino]benzoate structure](/static/products/791/791792-24-0.png)
Methyl 2-[(4-tert-butylbenzoyl)carbamothioylamino]benzoate
TL;DR: Methyl 2-[(4-tert-butylbenzoyl)carbamothioylamino]benzoate (CAS 791792-24-0) is a chemical compound with molecular formula C20H22N2O3S and molecular weight 370.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[(4-tert-butylbenzoyl)carbamothioylamino]benzoate
Also Known As: AN-329/42607836, methyl 2-[(4-tert-butylbenzoyl)carbamothioylamino]benzoate, methyl 2-({[(4-tert-butylbenzoyl)amino]carbothioyl}amino)benzoate, methyl 2-({[(4-tert-butylbenzoyl)amino]carbonothioyl}amino)benzoate, methyl 2-({[(4-tert-butylphenyl)carbonyl]carbamothioyl}amino)benzoate
| Molecular Formula | C20H22N2O3S |
|---|---|
| Molecular Weight | 370.14 g/mol |
| LogP | 3.8975 |
| Topological Polar Surface Area | 67.43 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 370.1351 |
| Heavy Atoms | 26 |
| Complexity | 823.69507 |
Chemical Identifiers
| CAS Number | 791792-24-0 |
|---|---|
| SMILES | CC(C)(C)C1=CC=C(C=C1)C(=O)NC(=S)NC2=CC=CC=C2C(=O)OC |
Product Overview
Methyl 2-[(4-tert-butylbenzoyl)carbamothioylamino]benzoate (CAS 791792-24-0), with molecular formula C20H22N2O3S and molecular weight 370.14 g/mol. IUPAC: methyl 2-[(4-tert-butylbenzoyl)carbamothioylamino]benzoate.
Chemical Property Profile of Methyl 2-[(4-tert-butylbenzoyl)carbamothioylamino]benzoate
Property Insights of Methyl 2-[(4-tert-butylbenzoyl)carbamothioylamino]benzoate
The XLogP value of 3.8975 indicates that Methyl 2-[(4-tert-butylbenzoyl)carbamothioylamino]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 2-[(4-tert-butylbenzoyl)carbamothioylamino]benzoate. Following Lipinski's Rule of Five, Methyl 2-[(4-tert-butylbenzoyl)carbamothioylamino]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 2-[(4-tert-butylbenzoyl)carbamothioylamino]benzoate?
The CAS number of Methyl 2-[(4-tert-butylbenzoyl)carbamothioylamino]benzoate is 791792-24-0.
What is the molecular formula of Methyl 2-[(4-tert-butylbenzoyl)carbamothioylamino]benzoate?
The molecular formula of Methyl 2-[(4-tert-butylbenzoyl)carbamothioylamino]benzoate is C20H22N2O3S.
What is the molecular weight of Methyl 2-[(4-tert-butylbenzoyl)carbamothioylamino]benzoate?
The molecular weight of Methyl 2-[(4-tert-butylbenzoyl)carbamothioylamino]benzoate is 370.14 g/mol.
Where can I buy Methyl 2-[(4-tert-butylbenzoyl)carbamothioylamino]benzoate?
You can request a quote for Methyl 2-[(4-tert-butylbenzoyl)carbamothioylamino]benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 2-[(4-tert-butylbenzoyl)carbamothioylamino]benzoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 2-[(4-tert-butylbenzoyl)carbamothioylamino]benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.