![ethyl 2-{[(4-chloroanilino)carbonyl]amino}-4-(4-methoxyphenyl)-5-methylthiophene-3-carboxylate structure](/static/products/4449/444932-84-7.webp)
ethyl 2-{[(4-chloroanilino)carbonyl]amino}-4-(4-methoxyphenyl)-5-methylthiophene-3-carboxylate
TL;DR: ethyl 2-{[(4-chloroanilino)carbonyl]amino}-4-(4-methoxyphenyl)-5-methylthiophene-3-carboxylate (CAS 444932-84-7) is a chemical compound with molecular formula C22H21ClN2O4S and molecular weight 444.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[(4-chlorophenyl)carbamoylamino]-4-(4-methoxyphenyl)-5-methylthiophene-3-carboxylate
Also Known As: ethyl 2-{[(4-chloroanilino)carbonyl]amino}-4-(4-methoxyphenyl)-5-methylthiophene-3-carboxylate, ethyl 2-[(4-chlorophenyl)carbamoylamino]-4-(4-methoxyphenyl)-5-methylthiophene-3-carboxylate, ETHYL 2-{[(4-CHLOROANILINO)CARBONYL]AMINO}-4-(4-METHOXYPHENYL)-5-METHYL-3-THIOPHENECARBOXYLATE, ethyl 2-{[(4-chlorophenyl)carbamoyl]amino}-4-(4-methoxyphenyl)-5-methylthiophene-3-carboxylate, ethyl 2-{[N-(4-chlorophenyl)carbamoyl]amino}-4-(4-methoxyphenyl)-5-methylthiop hene-3-carboxylate
| Molecular Formula | C22H21ClN2O4S |
|---|---|
| Molecular Weight | 444.09 g/mol |
| LogP | 6.20622 |
| Topological Polar Surface Area | 76.66 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 444.09106 |
| Heavy Atoms | 30 |
| Complexity | 1046.2495 |
Chemical Identifiers
| CAS Number | 444932-84-7 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC(=C1C2=CC=C(C=C2)OC)C)NC(=O)NC3=CC=C(C=C3)Cl |
Product Overview
ethyl 2-{[(4-chloroanilino)carbonyl]amino}-4-(4-methoxyphenyl)-5-methylthiophene-3-carboxylate (CAS 444932-84-7), with molecular formula C22H21ClN2O4S and molecular weight 444.09 g/mol. IUPAC: ethyl 2-[(4-chlorophenyl)carbamoylamino]-4-(4-methoxyphenyl)-5-methylthiophene-3-carboxylate.
Chemical Property Profile of ethyl 2-{[(4-chloroanilino)carbonyl]amino}-4-(4-methoxyphenyl)-5-methylthiophene-3-carboxylate
Property Insights of ethyl 2-{[(4-chloroanilino)carbonyl]amino}-4-(4-methoxyphenyl)-5-methylthiophene-3-carboxylate
The XLogP value of 6.20622 indicates that ethyl 2-{[(4-chloroanilino)carbonyl]amino}-4-(4-methoxyphenyl)-5-methylthiophene-3-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 76.66 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 2-{[(4-chloroanilino)carbonyl]amino}-4-(4-methoxyphenyl)-5-methylthiophene-3-carboxylate. Following Lipinski's Rule of Five, ethyl 2-{[(4-chloroanilino)carbonyl]amino}-4-(4-methoxyphenyl)-5-methylthiophene-3-carboxylate has 2 hydrogen bond donor(s) and 5 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-{[(4-chloroanilino)carbonyl]amino}-4-(4-methoxyphenyl)-5-methylthiophene-3-carboxylate?
The CAS number of ethyl 2-{[(4-chloroanilino)carbonyl]amino}-4-(4-methoxyphenyl)-5-methylthiophene-3-carboxylate is 444932-84-7.
What is the molecular formula of ethyl 2-{[(4-chloroanilino)carbonyl]amino}-4-(4-methoxyphenyl)-5-methylthiophene-3-carboxylate?
The molecular formula of ethyl 2-{[(4-chloroanilino)carbonyl]amino}-4-(4-methoxyphenyl)-5-methylthiophene-3-carboxylate is C22H21ClN2O4S.
What is the molecular weight of ethyl 2-{[(4-chloroanilino)carbonyl]amino}-4-(4-methoxyphenyl)-5-methylthiophene-3-carboxylate?
The molecular weight of ethyl 2-{[(4-chloroanilino)carbonyl]amino}-4-(4-methoxyphenyl)-5-methylthiophene-3-carboxylate is 444.09 g/mol.
Where can I buy ethyl 2-{[(4-chloroanilino)carbonyl]amino}-4-(4-methoxyphenyl)-5-methylthiophene-3-carboxylate?
You can request a quote for ethyl 2-{[(4-chloroanilino)carbonyl]amino}-4-(4-methoxyphenyl)-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-{[(4-chloroanilino)carbonyl]amino}-4-(4-methoxyphenyl)-5-methylthiophene-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 2-{[(4-chloroanilino)carbonyl]amino}-4-(4-methoxyphenyl)-5-methylthiophene-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.