4,5-Dimethyl-2-(3-phenyl-thioureido)-thiophene-3-carboxylic acid ethyl ester
TL;DR: 4,5-Dimethyl-2-(3-phenyl-thioureido)-thiophene-3-carboxylic acid ethyl ester (CAS 59898-45-2) is a chemical compound with molecular formula C16H18N2O2S2 and molecular weight 334.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4,5-dimethyl-2-(phenylcarbamothioylamino)thiophene-3-carboxylate
Also Known As: 2-Propenoyl azide,3-(2-furanyl), 4,5-Dimethyl-2-(3-phenyl-thioureido)-thiophene-3-carboxylic acid ethyl ester, BAS 00469783, AE-641/00688004, ethyl 4,5-dimethyl-2-(3-phenylthioureido)-3-thenoate
| Molecular Formula | C16H18N2O2S2 |
|---|---|
| Molecular Weight | 334.08 g/mol |
| LogP | 4.35054 |
| Topological Polar Surface Area | 50.36 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 334.08096 |
| Heavy Atoms | 22 |
| Complexity | 680.9543 |
Chemical Identifiers
| CAS Number | 59898-45-2 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC(=C1C)C)NC(=S)NC2=CC=CC=C2 |
Product Overview
4,5-Dimethyl-2-(3-phenyl-thioureido)-thiophene-3-carboxylic acid ethyl ester (CAS 59898-45-2), with molecular formula C16H18N2O2S2 and molecular weight 334.08 g/mol. IUPAC: ethyl 4,5-dimethyl-2-(phenylcarbamothioylamino)thiophene-3-carboxylate.
Chemical Property Profile of 4,5-Dimethyl-2-(3-phenyl-thioureido)-thiophene-3-carboxylic acid ethyl ester
Property Insights of 4,5-Dimethyl-2-(3-phenyl-thioureido)-thiophene-3-carboxylic acid ethyl ester
The XLogP value of 4.35054 indicates that 4,5-Dimethyl-2-(3-phenyl-thioureido)-thiophene-3-carboxylic acid ethyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 50.36 Ų, 4,5-Dimethyl-2-(3-phenyl-thioureido)-thiophene-3-carboxylic acid ethyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4,5-Dimethyl-2-(3-phenyl-thioureido)-thiophene-3-carboxylic acid ethyl ester 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 4,5-Dimethyl-2-(3-phenyl-thioureido)-thiophene-3-carboxylic acid ethyl ester?
The CAS number of 4,5-Dimethyl-2-(3-phenyl-thioureido)-thiophene-3-carboxylic acid ethyl ester is 59898-45-2.
What is the molecular formula of 4,5-Dimethyl-2-(3-phenyl-thioureido)-thiophene-3-carboxylic acid ethyl ester?
The molecular formula of 4,5-Dimethyl-2-(3-phenyl-thioureido)-thiophene-3-carboxylic acid ethyl ester is C16H18N2O2S2.
What is the molecular weight of 4,5-Dimethyl-2-(3-phenyl-thioureido)-thiophene-3-carboxylic acid ethyl ester?
The molecular weight of 4,5-Dimethyl-2-(3-phenyl-thioureido)-thiophene-3-carboxylic acid ethyl ester is 334.08 g/mol.
Where can I buy 4,5-Dimethyl-2-(3-phenyl-thioureido)-thiophene-3-carboxylic acid ethyl ester?
You can request a quote for 4,5-Dimethyl-2-(3-phenyl-thioureido)-thiophene-3-carboxylic acid ethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4,5-Dimethyl-2-(3-phenyl-thioureido)-thiophene-3-carboxylic acid ethyl ester?
Yes, KEHONG BIO provides custom synthesis services for 4,5-Dimethyl-2-(3-phenyl-thioureido)-thiophene-3-carboxylic acid ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.