Ethyl 4-(4-methylphenyl)-2-(phenylcarbamothioylamino)thiophene-3-carboxylate
TL;DR: Ethyl 4-(4-methylphenyl)-2-(phenylcarbamothioylamino)thiophene-3-carboxylate (CAS 332017-71-7) is a chemical compound with molecular formula C21H20N2O2S2 and molecular weight 396.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-(4-methylphenyl)-2-(phenylcarbamothioylamino)thiophene-3-carboxylate
Also Known As: BAS 00796109, ethyl 4-(4-methylphenyl)-2-(phenylcarbamothioylamino)thiophene-3-carboxylate, ethyl 2-(3-phenylthioureido)-4-(p-tolyl)thiophene-3-carboxylate, 2-(3-Phenyl-thioureido)-4-p-tolyl-thiophene-3-carboxylic acid ethyl ester, ethyl 4-(4-methylphenyl)-2-[(phenylcarbamothioyl)amino]thiophene-3-carboxylate
| Molecular Formula | C21H20N2O2S2 |
|---|---|
| Molecular Weight | 396.10 g/mol |
| LogP | 5.70912 |
| Topological Polar Surface Area | 50.36 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 396.09662 |
| Heavy Atoms | 27 |
| Complexity | 934.57526 |
Chemical Identifiers
| CAS Number | 332017-71-7 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC=C1C2=CC=C(C=C2)C)NC(=S)NC3=CC=CC=C3 |
Product Overview
Ethyl 4-(4-methylphenyl)-2-(phenylcarbamothioylamino)thiophene-3-carboxylate (CAS 332017-71-7), with molecular formula C21H20N2O2S2 and molecular weight 396.10 g/mol. IUPAC: ethyl 4-(4-methylphenyl)-2-(phenylcarbamothioylamino)thiophene-3-carboxylate.
Chemical Property Profile of Ethyl 4-(4-methylphenyl)-2-(phenylcarbamothioylamino)thiophene-3-carboxylate
Property Insights of Ethyl 4-(4-methylphenyl)-2-(phenylcarbamothioylamino)thiophene-3-carboxylate
The XLogP value of 5.70912 indicates that Ethyl 4-(4-methylphenyl)-2-(phenylcarbamothioylamino)thiophene-3-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 50.36 Ų, Ethyl 4-(4-methylphenyl)-2-(phenylcarbamothioylamino)thiophene-3-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 4-(4-methylphenyl)-2-(phenylcarbamothioylamino)thiophene-3-carboxylate has 2 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Ethyl 4-(4-methylphenyl)-2-(phenylcarbamothioylamino)thiophene-3-carboxylate?
The CAS number of Ethyl 4-(4-methylphenyl)-2-(phenylcarbamothioylamino)thiophene-3-carboxylate is 332017-71-7.
What is the molecular formula of Ethyl 4-(4-methylphenyl)-2-(phenylcarbamothioylamino)thiophene-3-carboxylate?
The molecular formula of Ethyl 4-(4-methylphenyl)-2-(phenylcarbamothioylamino)thiophene-3-carboxylate is C21H20N2O2S2.
What is the molecular weight of Ethyl 4-(4-methylphenyl)-2-(phenylcarbamothioylamino)thiophene-3-carboxylate?
The molecular weight of Ethyl 4-(4-methylphenyl)-2-(phenylcarbamothioylamino)thiophene-3-carboxylate is 396.10 g/mol.
Where can I buy Ethyl 4-(4-methylphenyl)-2-(phenylcarbamothioylamino)thiophene-3-carboxylate?
You can request a quote for Ethyl 4-(4-methylphenyl)-2-(phenylcarbamothioylamino)thiophene-3-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 4-(4-methylphenyl)-2-(phenylcarbamothioylamino)thiophene-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 4-(4-methylphenyl)-2-(phenylcarbamothioylamino)thiophene-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.