ethyl 2-(3-(3,4-dimethoxyphenethyl)thioureido)-5-phenylthiophene-3-carboxylate
TL;DR: ethyl 2-(3-(3,4-dimethoxyphenethyl)thioureido)-5-phenylthiophene-3-carboxylate (CAS 590352-50-4) is a chemical compound with molecular formula C24H26N2O4S2 and molecular weight 470.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[2-(3,4-dimethoxyphenyl)ethylcarbamothioylamino]-5-phenylthiophene-3-carboxylate
Also Known As: ethyl 2-(3-(3,4-dimethoxyphenethyl)thioureido)-5-phenylthiophene-3-carboxylate, ethyl 2-[2-(3,4-dimethoxyphenyl)ethylcarbamothioylamino]-5-phenylthiophene-3-carboxylate, Ethyl 2-[2-(3,4-dimethoxyphenyl)ethylthiocarbamoylamino]-5-phenyl-thiophene-3-carboxylate, ethyl 2-({[2-(3,4-dimethoxyphenyl)ethyl]carbamothioyl}amino)-5-phenylthiophene-3-carboxylate, ethyl 2-[({[2-(3,4-dimethoxyphenyl)ethyl]amino}thioxomethyl)amino]-5-phenylthi ophene-3-carboxylate
| Molecular Formula | C24H26N2O4S2 |
|---|---|
| Molecular Weight | 470.13 g/mol |
| LogP | 5.1381 |
| Topological Polar Surface Area | 68.82 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 9 |
| Exact Mass | 470.1334 |
| Heavy Atoms | 32 |
| Complexity | 1067.1161 |
Chemical Identifiers
| CAS Number | 590352-50-4 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC(=C1)C2=CC=CC=C2)NC(=S)NCCC3=CC(=C(C=C3)OC)OC |
Product Overview
ethyl 2-(3-(3,4-dimethoxyphenethyl)thioureido)-5-phenylthiophene-3-carboxylate (CAS 590352-50-4), with molecular formula C24H26N2O4S2 and molecular weight 470.13 g/mol. IUPAC: ethyl 2-[2-(3,4-dimethoxyphenyl)ethylcarbamothioylamino]-5-phenylthiophene-3-carboxylate.
Chemical Property Profile of ethyl 2-(3-(3,4-dimethoxyphenethyl)thioureido)-5-phenylthiophene-3-carboxylate
Property Insights of ethyl 2-(3-(3,4-dimethoxyphenethyl)thioureido)-5-phenylthiophene-3-carboxylate
The XLogP value of 5.1381 indicates that ethyl 2-(3-(3,4-dimethoxyphenethyl)thioureido)-5-phenylthiophene-3-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 68.82 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 2-(3-(3,4-dimethoxyphenethyl)thioureido)-5-phenylthiophene-3-carboxylate. Following Lipinski's Rule of Five, ethyl 2-(3-(3,4-dimethoxyphenethyl)thioureido)-5-phenylthiophene-3-carboxylate has 2 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ethyl 2-(3-(3,4-dimethoxyphenethyl)thioureido)-5-phenylthiophene-3-carboxylate?
The CAS number of ethyl 2-(3-(3,4-dimethoxyphenethyl)thioureido)-5-phenylthiophene-3-carboxylate is 590352-50-4.
What is the molecular formula of ethyl 2-(3-(3,4-dimethoxyphenethyl)thioureido)-5-phenylthiophene-3-carboxylate?
The molecular formula of ethyl 2-(3-(3,4-dimethoxyphenethyl)thioureido)-5-phenylthiophene-3-carboxylate is C24H26N2O4S2.
What is the molecular weight of ethyl 2-(3-(3,4-dimethoxyphenethyl)thioureido)-5-phenylthiophene-3-carboxylate?
The molecular weight of ethyl 2-(3-(3,4-dimethoxyphenethyl)thioureido)-5-phenylthiophene-3-carboxylate is 470.13 g/mol.
Where can I buy ethyl 2-(3-(3,4-dimethoxyphenethyl)thioureido)-5-phenylthiophene-3-carboxylate?
You can request a quote for ethyl 2-(3-(3,4-dimethoxyphenethyl)thioureido)-5-phenylthiophene-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 2-(3-(3,4-dimethoxyphenethyl)thioureido)-5-phenylthiophene-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 2-(3-(3,4-dimethoxyphenethyl)thioureido)-5-phenylthiophene-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.