![2-[3-(4-Fluoro-benzoyl)-thioureido]-4-p-tolyl-thiophene-3-carboxylic acid methyl ester structure](/static/products/370/370573-62-9.png)
2-[3-(4-Fluoro-benzoyl)-thioureido]-4-p-tolyl-thiophene-3-carboxylic acid methyl ester
TL;DR: 2-[3-(4-Fluoro-benzoyl)-thioureido]-4-p-tolyl-thiophene-3-carboxylic acid methyl ester (CAS 370573-62-9) is a chemical compound with molecular formula C21H17FN2O3S2 and molecular weight 428.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[(4-fluorobenzoyl)carbamothioylamino]-4-(4-methylphenyl)thiophene-3-carboxylate
Also Known As: 2-[3-(4-Fluoro-benzoyl)-thioureido]-4-p-tolyl-thiophene-3-carboxylic acid methyl ester, methyl 2-(3-(4-fluorobenzoyl)thioureido)-4-(p-tolyl)thiophene-3-carboxylate, methyl 2-[(4-fluorobenzoyl)carbamothioylamino]-4-(4-methylphenyl)thiophene-3-carboxylate, methyl 2-({[(4-fluorophenyl)carbonyl]carbamothioyl}amino)-4-(4-methylphenyl)thiophene-3-carboxylate
| Molecular Formula | C21H17FN2O3S2 |
|---|---|
| Molecular Weight | 428.07 g/mol |
| LogP | 4.77602 |
| Topological Polar Surface Area | 67.43 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 428.06647 |
| Heavy Atoms | 29 |
| Complexity | 1060.5352 |
Chemical Identifiers
| CAS Number | 370573-62-9 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C2=CSC(=C2C(=O)OC)NC(=S)NC(=O)C3=CC=C(C=C3)F |
Product Overview
2-[3-(4-Fluoro-benzoyl)-thioureido]-4-p-tolyl-thiophene-3-carboxylic acid methyl ester (CAS 370573-62-9), with molecular formula C21H17FN2O3S2 and molecular weight 428.07 g/mol. IUPAC: methyl 2-[(4-fluorobenzoyl)carbamothioylamino]-4-(4-methylphenyl)thiophene-3-carboxylate.
Chemical Property Profile of 2-[3-(4-Fluoro-benzoyl)-thioureido]-4-p-tolyl-thiophene-3-carboxylic acid methyl ester
Property Insights of 2-[3-(4-Fluoro-benzoyl)-thioureido]-4-p-tolyl-thiophene-3-carboxylic acid methyl ester
The XLogP value of 4.77602 indicates that 2-[3-(4-Fluoro-benzoyl)-thioureido]-4-p-tolyl-thiophene-3-carboxylic acid methyl ester 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 2-[3-(4-Fluoro-benzoyl)-thioureido]-4-p-tolyl-thiophene-3-carboxylic acid methyl ester. Following Lipinski's Rule of Five, 2-[3-(4-Fluoro-benzoyl)-thioureido]-4-p-tolyl-thiophene-3-carboxylic acid methyl ester has 2 hydrogen bond donor(s) and 5 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 2-[3-(4-Fluoro-benzoyl)-thioureido]-4-p-tolyl-thiophene-3-carboxylic acid methyl ester?
The CAS number of 2-[3-(4-Fluoro-benzoyl)-thioureido]-4-p-tolyl-thiophene-3-carboxylic acid methyl ester is 370573-62-9.
What is the molecular formula of 2-[3-(4-Fluoro-benzoyl)-thioureido]-4-p-tolyl-thiophene-3-carboxylic acid methyl ester?
The molecular formula of 2-[3-(4-Fluoro-benzoyl)-thioureido]-4-p-tolyl-thiophene-3-carboxylic acid methyl ester is C21H17FN2O3S2.
What is the molecular weight of 2-[3-(4-Fluoro-benzoyl)-thioureido]-4-p-tolyl-thiophene-3-carboxylic acid methyl ester?
The molecular weight of 2-[3-(4-Fluoro-benzoyl)-thioureido]-4-p-tolyl-thiophene-3-carboxylic acid methyl ester is 428.07 g/mol.
Where can I buy 2-[3-(4-Fluoro-benzoyl)-thioureido]-4-p-tolyl-thiophene-3-carboxylic acid methyl ester?
You can request a quote for 2-[3-(4-Fluoro-benzoyl)-thioureido]-4-p-tolyl-thiophene-3-carboxylic acid methyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[3-(4-Fluoro-benzoyl)-thioureido]-4-p-tolyl-thiophene-3-carboxylic acid methyl ester?
Yes, KEHONG BIO provides custom synthesis services for 2-[3-(4-Fluoro-benzoyl)-thioureido]-4-p-tolyl-thiophene-3-carboxylic acid methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.