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Ethyl 4-(4-chlorophenyl)-2-[(phenylacetyl)amino]-3-thiophenecarboxylate
TL;DR: Ethyl 4-(4-chlorophenyl)-2-[(phenylacetyl)amino]-3-thiophenecarboxylate (CAS 380644-93-9) is a chemical compound with molecular formula C21H18ClNO3S and molecular weight 399.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-(4-chlorophenyl)-2-[(2-phenylacetyl)amino]thiophene-3-carboxylate
Also Known As: ethyl 4-(4-chlorophenyl)-2-[(phenylacetyl)amino]-3-thiophenecarboxylate, AE-848/13198117, ethyl 4-(4-chlorophenyl)-2-[(2-phenylacetyl)amino]thiophene-3-carboxylate, ethyl 4-(4-chlorophenyl)-2-[(phenylacetyl)amino]thiophene-3-carboxylate, ETHYL 4-(4-CHLOROPHENYL)-2-(2-PHENYLACETAMIDO)THIOPHENE-3-CARBOXYLATE
| Molecular Formula | C21H18ClNO3S |
|---|---|
| Molecular Weight | 399.07 g/mol |
| LogP | 5.4264 |
| Topological Polar Surface Area | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 399.06958 |
| Heavy Atoms | 27 |
| Complexity | 935.8204 |
Chemical Identifiers
| CAS Number | 380644-93-9 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC=C1C2=CC=C(C=C2)Cl)NC(=O)CC3=CC=CC=C3 |
Product Overview
Ethyl 4-(4-chlorophenyl)-2-[(phenylacetyl)amino]-3-thiophenecarboxylate (CAS 380644-93-9), with molecular formula C21H18ClNO3S and molecular weight 399.07 g/mol. IUPAC: ethyl 4-(4-chlorophenyl)-2-[(2-phenylacetyl)amino]thiophene-3-carboxylate.
Chemical Property Profile of Ethyl 4-(4-chlorophenyl)-2-[(phenylacetyl)amino]-3-thiophenecarboxylate
Property Insights of Ethyl 4-(4-chlorophenyl)-2-[(phenylacetyl)amino]-3-thiophenecarboxylate
The XLogP value of 5.4264 indicates that Ethyl 4-(4-chlorophenyl)-2-[(phenylacetyl)amino]-3-thiophenecarboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.4 Ų, Ethyl 4-(4-chlorophenyl)-2-[(phenylacetyl)amino]-3-thiophenecarboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 4-(4-chlorophenyl)-2-[(phenylacetyl)amino]-3-thiophenecarboxylate has 1 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 4-(4-chlorophenyl)-2-[(phenylacetyl)amino]-3-thiophenecarboxylate?
The CAS number of Ethyl 4-(4-chlorophenyl)-2-[(phenylacetyl)amino]-3-thiophenecarboxylate is 380644-93-9.
What is the molecular formula of Ethyl 4-(4-chlorophenyl)-2-[(phenylacetyl)amino]-3-thiophenecarboxylate?
The molecular formula of Ethyl 4-(4-chlorophenyl)-2-[(phenylacetyl)amino]-3-thiophenecarboxylate is C21H18ClNO3S.
What is the molecular weight of Ethyl 4-(4-chlorophenyl)-2-[(phenylacetyl)amino]-3-thiophenecarboxylate?
The molecular weight of Ethyl 4-(4-chlorophenyl)-2-[(phenylacetyl)amino]-3-thiophenecarboxylate is 399.07 g/mol.
Where can I buy Ethyl 4-(4-chlorophenyl)-2-[(phenylacetyl)amino]-3-thiophenecarboxylate?
You can request a quote for Ethyl 4-(4-chlorophenyl)-2-[(phenylacetyl)amino]-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 4-(4-chlorophenyl)-2-[(phenylacetyl)amino]-3-thiophenecarboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 4-(4-chlorophenyl)-2-[(phenylacetyl)amino]-3-thiophenecarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.