![Methyl 4-({[(4-methyl-3-nitrophenyl)carbonyl]carbamothioyl}amino)benzoate structure](/static/products/4284/428473-87-4.webp)
Methyl 4-({[(4-methyl-3-nitrophenyl)carbonyl]carbamothioyl}amino)benzoate
TL;DR: Methyl 4-({[(4-methyl-3-nitrophenyl)carbonyl]carbamothioyl}amino)benzoate (CAS 428473-87-4) is a chemical compound with molecular formula C17H15N3O5S and molecular weight 373.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-[(4-methyl-3-nitrobenzoyl)carbamothioylamino]benzoate
Also Known As: AB00108384-01, methyl 4-(3-(4-methyl-3-nitrobenzoyl)thioureido)benzoate, methyl 4-({[(4-methyl-3-nitrophenyl)carbonyl]carbamothioyl}amino)benzoate, methyl 4-[(4-methyl-3-nitrobenzoyl)carbamothioylamino]benzoate
| Molecular Formula | C17H15N3O5S |
|---|---|
| Molecular Weight | 373.07 g/mol |
| LogP | 2.81662 |
| Topological Polar Surface Area | 110.57 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 373.07324 |
| Heavy Atoms | 26 |
| Complexity | 880.4671 |
Chemical Identifiers
| CAS Number | 428473-87-4 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC=C(C=C2)C(=O)OC)[N+](=O)[O-] |
Product Overview
Methyl 4-({[(4-methyl-3-nitrophenyl)carbonyl]carbamothioyl}amino)benzoate (CAS 428473-87-4), with molecular formula C17H15N3O5S and molecular weight 373.07 g/mol. IUPAC: methyl 4-[(4-methyl-3-nitrobenzoyl)carbamothioylamino]benzoate.
Chemical Property Profile of Methyl 4-({[(4-methyl-3-nitrophenyl)carbonyl]carbamothioyl}amino)benzoate
Property Insights of Methyl 4-({[(4-methyl-3-nitrophenyl)carbonyl]carbamothioyl}amino)benzoate
The XLogP value of 2.81662 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 4-({[(4-methyl-3-nitrophenyl)carbonyl]carbamothioyl}amino)benzoate. The TPSA of 110.57 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 4-({[(4-methyl-3-nitrophenyl)carbonyl]carbamothioyl}amino)benzoate. Following Lipinski's Rule of Five, Methyl 4-({[(4-methyl-3-nitrophenyl)carbonyl]carbamothioyl}amino)benzoate has 2 hydrogen bond donor(s) and 6 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-({[(4-methyl-3-nitrophenyl)carbonyl]carbamothioyl}amino)benzoate?
The CAS number of Methyl 4-({[(4-methyl-3-nitrophenyl)carbonyl]carbamothioyl}amino)benzoate is 428473-87-4.
What is the molecular formula of Methyl 4-({[(4-methyl-3-nitrophenyl)carbonyl]carbamothioyl}amino)benzoate?
The molecular formula of Methyl 4-({[(4-methyl-3-nitrophenyl)carbonyl]carbamothioyl}amino)benzoate is C17H15N3O5S.
What is the molecular weight of Methyl 4-({[(4-methyl-3-nitrophenyl)carbonyl]carbamothioyl}amino)benzoate?
The molecular weight of Methyl 4-({[(4-methyl-3-nitrophenyl)carbonyl]carbamothioyl}amino)benzoate is 373.07 g/mol.
Where can I buy Methyl 4-({[(4-methyl-3-nitrophenyl)carbonyl]carbamothioyl}amino)benzoate?
You can request a quote for Methyl 4-({[(4-methyl-3-nitrophenyl)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-({[(4-methyl-3-nitrophenyl)carbonyl]carbamothioyl}amino)benzoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 4-({[(4-methyl-3-nitrophenyl)carbonyl]carbamothioyl}amino)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.