![Methyl 2-[({[3-(4-fluorophenyl)acryloyl]amino}carbothioyl)amino]benzoate structure](/static/products/791/791792-26-2.png)
Methyl 2-[({[3-(4-fluorophenyl)acryloyl]amino}carbothioyl)amino]benzoate
TL;DR: Methyl 2-[({[3-(4-fluorophenyl)acryloyl]amino}carbothioyl)amino]benzoate (CAS 791792-26-2) is a chemical compound with molecular formula C18H15FN2O3S and molecular weight 358.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[[(E)-3-(4-fluorophenyl)prop-2-enoyl]carbamothioylamino]benzoate
Also Known As: AN-329/42607840, methyl 2-[({[3-(4-fluorophenyl)acryloyl]amino}carbothioyl)amino]benzoate, methyl 2-[[(E)-3-(4-fluorophenyl)prop-2-enoyl]carbamothioylamino]benzoate, methyl 2-[({[3-(4-fluorophenyl)acryloyl]amino}carbonothioyl)amino]benzoate, methyl 2-({[(2E)-3-(4-fluorophenyl)prop-2-enoyl]carbamothioyl}amino)benzoate
| Molecular Formula | C18H15FN2O3S |
|---|---|
| Molecular Weight | 358.08 g/mol |
| LogP | 3.1387 |
| Topological Polar Surface Area | 67.43 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 358.07874 |
| Heavy Atoms | 25 |
| Complexity | 819.3258 |
Chemical Identifiers
| CAS Number | 791792-26-2 |
|---|---|
| SMILES | COC(=O)C1=CC=CC=C1NC(=S)NC(=O)/C=C/C2=CC=C(C=C2)F |
Product Overview
Methyl 2-[({[3-(4-fluorophenyl)acryloyl]amino}carbothioyl)amino]benzoate (CAS 791792-26-2), with molecular formula C18H15FN2O3S and molecular weight 358.08 g/mol. IUPAC: methyl 2-[[(E)-3-(4-fluorophenyl)prop-2-enoyl]carbamothioylamino]benzoate.
Chemical Property Profile of Methyl 2-[({[3-(4-fluorophenyl)acryloyl]amino}carbothioyl)amino]benzoate
Property Insights of Methyl 2-[({[3-(4-fluorophenyl)acryloyl]amino}carbothioyl)amino]benzoate
The XLogP value of 3.1387 indicates that Methyl 2-[({[3-(4-fluorophenyl)acryloyl]amino}carbothioyl)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 2-[({[3-(4-fluorophenyl)acryloyl]amino}carbothioyl)amino]benzoate. Following Lipinski's Rule of Five, Methyl 2-[({[3-(4-fluorophenyl)acryloyl]amino}carbothioyl)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-[({[3-(4-fluorophenyl)acryloyl]amino}carbothioyl)amino]benzoate?
The CAS number of Methyl 2-[({[3-(4-fluorophenyl)acryloyl]amino}carbothioyl)amino]benzoate is 791792-26-2.
What is the molecular formula of Methyl 2-[({[3-(4-fluorophenyl)acryloyl]amino}carbothioyl)amino]benzoate?
The molecular formula of Methyl 2-[({[3-(4-fluorophenyl)acryloyl]amino}carbothioyl)amino]benzoate is C18H15FN2O3S.
What is the molecular weight of Methyl 2-[({[3-(4-fluorophenyl)acryloyl]amino}carbothioyl)amino]benzoate?
The molecular weight of Methyl 2-[({[3-(4-fluorophenyl)acryloyl]amino}carbothioyl)amino]benzoate is 358.08 g/mol.
Where can I buy Methyl 2-[({[3-(4-fluorophenyl)acryloyl]amino}carbothioyl)amino]benzoate?
You can request a quote for Methyl 2-[({[3-(4-fluorophenyl)acryloyl]amino}carbothioyl)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-[({[3-(4-fluorophenyl)acryloyl]amino}carbothioyl)amino]benzoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 2-[({[3-(4-fluorophenyl)acryloyl]amino}carbothioyl)amino]benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.