ethyl 2-(3-allylthioureido)-4-(3,4-dimethoxyphenyl)-5-methylthiophene-3-carboxylate
TL;DR: ethyl 2-(3-allylthioureido)-4-(3,4-dimethoxyphenyl)-5-methylthiophene-3-carboxylate (CAS 462085-08-1) is a chemical compound with molecular formula C20H24N2O4S2 and molecular weight 420.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-(3,4-dimethoxyphenyl)-5-methyl-2-(prop-2-enylcarbamothioylamino)thiophene-3-carboxylate
Also Known As: ethyl 2-(3-allylthioureido)-4-(3,4-dimethoxyphenyl)-5-methylthiophene-3-carboxylate, ethyl 4-(3,4-dimethoxyphenyl)-5-methyl-2-(prop-2-enylcarbamothioylamino)thiophene-3-carboxylate, ethyl 4-(3,4-dimethoxyphenyl)-5-methyl-2-[(prop-2-en-1-ylcarbamothioyl)amino]thiophene-3-carboxylate
| Molecular Formula | C20H24N2O4S2 |
|---|---|
| Molecular Weight | 420.12 g/mol |
| LogP | 4.38982 |
| Topological Polar Surface Area | 68.82 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 420.11774 |
| Heavy Atoms | 28 |
| Complexity | 877.33093 |
Chemical Identifiers
| CAS Number | 462085-08-1 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC(=C1C2=CC(=C(C=C2)OC)OC)C)NC(=S)NCC=C |
Product Overview
ethyl 2-(3-allylthioureido)-4-(3,4-dimethoxyphenyl)-5-methylthiophene-3-carboxylate (CAS 462085-08-1), with molecular formula C20H24N2O4S2 and molecular weight 420.12 g/mol. IUPAC: ethyl 4-(3,4-dimethoxyphenyl)-5-methyl-2-(prop-2-enylcarbamothioylamino)thiophene-3-carboxylate.
Chemical Property Profile of ethyl 2-(3-allylthioureido)-4-(3,4-dimethoxyphenyl)-5-methylthiophene-3-carboxylate
Property Insights of ethyl 2-(3-allylthioureido)-4-(3,4-dimethoxyphenyl)-5-methylthiophene-3-carboxylate
The XLogP value of 4.38982 indicates that ethyl 2-(3-allylthioureido)-4-(3,4-dimethoxyphenyl)-5-methylthiophene-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-allylthioureido)-4-(3,4-dimethoxyphenyl)-5-methylthiophene-3-carboxylate. Following Lipinski's Rule of Five, ethyl 2-(3-allylthioureido)-4-(3,4-dimethoxyphenyl)-5-methylthiophene-3-carboxylate has 2 hydrogen bond donor(s) and 6 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 ethyl 2-(3-allylthioureido)-4-(3,4-dimethoxyphenyl)-5-methylthiophene-3-carboxylate?
The CAS number of ethyl 2-(3-allylthioureido)-4-(3,4-dimethoxyphenyl)-5-methylthiophene-3-carboxylate is 462085-08-1.
What is the molecular formula of ethyl 2-(3-allylthioureido)-4-(3,4-dimethoxyphenyl)-5-methylthiophene-3-carboxylate?
The molecular formula of ethyl 2-(3-allylthioureido)-4-(3,4-dimethoxyphenyl)-5-methylthiophene-3-carboxylate is C20H24N2O4S2.
What is the molecular weight of ethyl 2-(3-allylthioureido)-4-(3,4-dimethoxyphenyl)-5-methylthiophene-3-carboxylate?
The molecular weight of ethyl 2-(3-allylthioureido)-4-(3,4-dimethoxyphenyl)-5-methylthiophene-3-carboxylate is 420.12 g/mol.
Where can I buy ethyl 2-(3-allylthioureido)-4-(3,4-dimethoxyphenyl)-5-methylthiophene-3-carboxylate?
You can request a quote for ethyl 2-(3-allylthioureido)-4-(3,4-dimethoxyphenyl)-5-methylthiophene-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-allylthioureido)-4-(3,4-dimethoxyphenyl)-5-methylthiophene-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 2-(3-allylthioureido)-4-(3,4-dimethoxyphenyl)-5-methylthiophene-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.