ethyl 4-(3,4-dimethoxyphenyl)-5-methyl-2-(3-(2-methylbenzoyl)thioureido)thiophene-3-carboxylate
TL;DR: ethyl 4-(3,4-dimethoxyphenyl)-5-methyl-2-(3-(2-methylbenzoyl)thioureido)thiophene-3-carboxylate (CAS 461041-72-5) is a chemical compound with molecular formula C25H26N2O5S2 and molecular weight 498.13 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-[(2-methylbenzoyl)carbamothioylamino]thiophene-3-carboxylate
Also Known As: ethyl 4-(3,4-dimethoxyphenyl)-5-methyl-2-(3-(2-methylbenzoyl)thioureido)thiophene-3-carboxylate, ethyl 4-(3,4-dimethoxyphenyl)-5-methyl-2-({[(2-methylphenyl)carbonyl]carbamothioyl}amino)thiophene-3-carboxylate, ETHYL 4-(3,4-DIMETHOXYPHENYL)-5-METHYL-2-({[(2-METHYLPHENYL)FORMAMIDO]METHANETHIOYL}AMINO)THIOPHENE-3-CARBOXYLATE, ethyl 4-(3,4-dimethoxyphenyl)-5-methyl-2-[(2-methylbenzoyl)carbamothioylamino]thiophene-3-carboxylate
| Molecular Formula | C25H26N2O5S2 |
|---|---|
| Molecular Weight | 498.13 g/mol |
| LogP | 5.35264 |
| Topological Polar Surface Area | 85.89 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 498.12833 |
| Heavy Atoms | 34 |
| Complexity | 1236.0391 |
Chemical Identifiers
| CAS Number | 461041-72-5 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC(=C1C2=CC(=C(C=C2)OC)OC)C)NC(=S)NC(=O)C3=CC=CC=C3C |
Product Overview
ethyl 4-(3,4-dimethoxyphenyl)-5-methyl-2-(3-(2-methylbenzoyl)thioureido)thiophene-3-carboxylate (CAS 461041-72-5), with molecular formula C25H26N2O5S2 and molecular weight 498.13 g/mol. IUPAC: ethyl 4-(3,4-dimethoxyphenyl)-5-methyl-2-[(2-methylbenzoyl)carbamothioylamino]thiophene-3-carboxylate.
Chemical Property Profile of ethyl 4-(3,4-dimethoxyphenyl)-5-methyl-2-(3-(2-methylbenzoyl)thioureido)thiophene-3-carboxylate
Property Insights of ethyl 4-(3,4-dimethoxyphenyl)-5-methyl-2-(3-(2-methylbenzoyl)thioureido)thiophene-3-carboxylate
The XLogP value of 5.35264 indicates that ethyl 4-(3,4-dimethoxyphenyl)-5-methyl-2-(3-(2-methylbenzoyl)thioureido)thiophene-3-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 85.89 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 4-(3,4-dimethoxyphenyl)-5-methyl-2-(3-(2-methylbenzoyl)thioureido)thiophene-3-carboxylate. Following Lipinski's Rule of Five, ethyl 4-(3,4-dimethoxyphenyl)-5-methyl-2-(3-(2-methylbenzoyl)thioureido)thiophene-3-carboxylate has 2 hydrogen bond donor(s) and 7 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-(3,4-dimethoxyphenyl)-5-methyl-2-(3-(2-methylbenzoyl)thioureido)thiophene-3-carboxylate?
The CAS number of ethyl 4-(3,4-dimethoxyphenyl)-5-methyl-2-(3-(2-methylbenzoyl)thioureido)thiophene-3-carboxylate is 461041-72-5.
What is the molecular formula of ethyl 4-(3,4-dimethoxyphenyl)-5-methyl-2-(3-(2-methylbenzoyl)thioureido)thiophene-3-carboxylate?
The molecular formula of ethyl 4-(3,4-dimethoxyphenyl)-5-methyl-2-(3-(2-methylbenzoyl)thioureido)thiophene-3-carboxylate is C25H26N2O5S2.
What is the molecular weight of ethyl 4-(3,4-dimethoxyphenyl)-5-methyl-2-(3-(2-methylbenzoyl)thioureido)thiophene-3-carboxylate?
The molecular weight of ethyl 4-(3,4-dimethoxyphenyl)-5-methyl-2-(3-(2-methylbenzoyl)thioureido)thiophene-3-carboxylate is 498.13 g/mol.
Where can I buy ethyl 4-(3,4-dimethoxyphenyl)-5-methyl-2-(3-(2-methylbenzoyl)thioureido)thiophene-3-carboxylate?
You can request a quote for ethyl 4-(3,4-dimethoxyphenyl)-5-methyl-2-(3-(2-methylbenzoyl)thioureido)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-(3,4-dimethoxyphenyl)-5-methyl-2-(3-(2-methylbenzoyl)thioureido)thiophene-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 4-(3,4-dimethoxyphenyl)-5-methyl-2-(3-(2-methylbenzoyl)thioureido)thiophene-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.