![ethyl 2-{[(3-chloroanilino)carbonyl]amino}-5-methyl-4-phenyl-3-thiophenecarboxylate structure](/static/products/4449/444927-84-8.webp)
ethyl 2-{[(3-chloroanilino)carbonyl]amino}-5-methyl-4-phenyl-3-thiophenecarboxylate
TL;DR: ethyl 2-{[(3-chloroanilino)carbonyl]amino}-5-methyl-4-phenyl-3-thiophenecarboxylate (CAS 444927-84-8) is a chemical compound with molecular formula C21H19ClN2O3S and molecular weight 414.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[(3-chlorophenyl)carbamoylamino]-5-methyl-4-phenylthiophene-3-carboxylate
Also Known As: ethyl 2-{[(3-chloroanilino)carbonyl]amino}-5-methyl-4-phenyl-3-thiophenecarboxylate, ethyl 2-[(3-chlorophenyl)carbamoylamino]-5-methyl-4-phenylthiophene-3-carboxylate, ethyl 2-{[(3-chlorophenyl)carbamoyl]amino}-5-methyl-4-phenylthiophene-3-carboxylate
| Molecular Formula | C21H19ClN2O3S |
|---|---|
| Molecular Weight | 414.08 g/mol |
| LogP | 6.19762 |
| Topological Polar Surface Area | 67.43 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 414.0805 |
| Heavy Atoms | 28 |
| Complexity | 1002.1402 |
Chemical Identifiers
| CAS Number | 444927-84-8 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC(=C1C2=CC=CC=C2)C)NC(=O)NC3=CC(=CC=C3)Cl |
Product Overview
ethyl 2-{[(3-chloroanilino)carbonyl]amino}-5-methyl-4-phenyl-3-thiophenecarboxylate (CAS 444927-84-8), with molecular formula C21H19ClN2O3S and molecular weight 414.08 g/mol. IUPAC: ethyl 2-[(3-chlorophenyl)carbamoylamino]-5-methyl-4-phenylthiophene-3-carboxylate.
Chemical Property Profile of ethyl 2-{[(3-chloroanilino)carbonyl]amino}-5-methyl-4-phenyl-3-thiophenecarboxylate
Property Insights of ethyl 2-{[(3-chloroanilino)carbonyl]amino}-5-methyl-4-phenyl-3-thiophenecarboxylate
The XLogP value of 6.19762 indicates that ethyl 2-{[(3-chloroanilino)carbonyl]amino}-5-methyl-4-phenyl-3-thiophenecarboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 67.43 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 2-{[(3-chloroanilino)carbonyl]amino}-5-methyl-4-phenyl-3-thiophenecarboxylate. Following Lipinski's Rule of Five, ethyl 2-{[(3-chloroanilino)carbonyl]amino}-5-methyl-4-phenyl-3-thiophenecarboxylate has 2 hydrogen bond donor(s) and 4 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-chloroanilino)carbonyl]amino}-5-methyl-4-phenyl-3-thiophenecarboxylate?
The CAS number of ethyl 2-{[(3-chloroanilino)carbonyl]amino}-5-methyl-4-phenyl-3-thiophenecarboxylate is 444927-84-8.
What is the molecular formula of ethyl 2-{[(3-chloroanilino)carbonyl]amino}-5-methyl-4-phenyl-3-thiophenecarboxylate?
The molecular formula of ethyl 2-{[(3-chloroanilino)carbonyl]amino}-5-methyl-4-phenyl-3-thiophenecarboxylate is C21H19ClN2O3S.
What is the molecular weight of ethyl 2-{[(3-chloroanilino)carbonyl]amino}-5-methyl-4-phenyl-3-thiophenecarboxylate?
The molecular weight of ethyl 2-{[(3-chloroanilino)carbonyl]amino}-5-methyl-4-phenyl-3-thiophenecarboxylate is 414.08 g/mol.
Where can I buy ethyl 2-{[(3-chloroanilino)carbonyl]amino}-5-methyl-4-phenyl-3-thiophenecarboxylate?
You can request a quote for ethyl 2-{[(3-chloroanilino)carbonyl]amino}-5-methyl-4-phenyl-3-thiophenecarboxylate 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-chloroanilino)carbonyl]amino}-5-methyl-4-phenyl-3-thiophenecarboxylate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 2-{[(3-chloroanilino)carbonyl]amino}-5-methyl-4-phenyl-3-thiophenecarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.