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Methyl 2-({[(4-methylbenzoyl)amino]carbonothioyl}amino)benzoate
TL;DR: Methyl 2-({[(4-methylbenzoyl)amino]carbonothioyl}amino)benzoate (CAS 178675-06-4) 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-[(4-methylbenzoyl)carbamothioylamino]benzoate
Also Known As: 2-fluoro-1-oxazol-2-ylbenzene, methyl 2-({[(4-methylbenzoyl)amino]carbonothioyl}amino)benzoate, methyl 2-[(4-methylbenzoyl)carbamothioylamino]benzoate, AN-329/40241052, methyl 2-(3-(4-methylbenzoyl)thioureido)benzoate
| 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 | 741.7586 |
Chemical Identifiers
| CAS Number | 178675-06-4 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C(=O)NC(=S)NC2=CC=CC=C2C(=O)OC |
Product Overview
Methyl 2-({[(4-methylbenzoyl)amino]carbonothioyl}amino)benzoate (CAS 178675-06-4), with molecular formula C17H16N2O3S and molecular weight 328.09 g/mol. IUPAC: methyl 2-[(4-methylbenzoyl)carbamothioylamino]benzoate.
Chemical Property Profile of Methyl 2-({[(4-methylbenzoyl)amino]carbonothioyl}amino)benzoate
Property Insights of Methyl 2-({[(4-methylbenzoyl)amino]carbonothioyl}amino)benzoate
The XLogP value of 2.90842 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 2-({[(4-methylbenzoyl)amino]carbonothioyl}amino)benzoate. The TPSA of 67.43 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 2-({[(4-methylbenzoyl)amino]carbonothioyl}amino)benzoate. Following Lipinski's Rule of Five, Methyl 2-({[(4-methylbenzoyl)amino]carbonothioyl}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 2-({[(4-methylbenzoyl)amino]carbonothioyl}amino)benzoate?
The CAS number of Methyl 2-({[(4-methylbenzoyl)amino]carbonothioyl}amino)benzoate is 178675-06-4.
What is the molecular formula of Methyl 2-({[(4-methylbenzoyl)amino]carbonothioyl}amino)benzoate?
The molecular formula of Methyl 2-({[(4-methylbenzoyl)amino]carbonothioyl}amino)benzoate is C17H16N2O3S.
What is the molecular weight of Methyl 2-({[(4-methylbenzoyl)amino]carbonothioyl}amino)benzoate?
The molecular weight of Methyl 2-({[(4-methylbenzoyl)amino]carbonothioyl}amino)benzoate is 328.09 g/mol.
Where can I buy Methyl 2-({[(4-methylbenzoyl)amino]carbonothioyl}amino)benzoate?
You can request a quote for Methyl 2-({[(4-methylbenzoyl)amino]carbonothioyl}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 2-({[(4-methylbenzoyl)amino]carbonothioyl}amino)benzoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 2-({[(4-methylbenzoyl)amino]carbonothioyl}amino)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.