![methyl 4-(3-chlorophenyl)-5-methyl-2-[(phenylacetyl)amino]thiophene-3-carboxylate structure](/static/products/4450/445013-22-9.webp)
methyl 4-(3-chlorophenyl)-5-methyl-2-[(phenylacetyl)amino]thiophene-3-carboxylate
TL;DR: methyl 4-(3-chlorophenyl)-5-methyl-2-[(phenylacetyl)amino]thiophene-3-carboxylate (CAS 445013-22-9) 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.
methyl 4-(3-chlorophenyl)-5-methyl-2-[(2-phenylacetyl)amino]thiophene-3-carboxylate
Also Known As: methyl 4-(3-chlorophenyl)-5-methyl-2-[(phenylacetyl)amino]thiophene-3-carboxylate, methyl 4-(3-chlorophenyl)-5-methyl-2-[(2-phenylacetyl)amino]thiophene-3-carboxylate, METHYL 4-(3-CHLOROPHENYL)-5-METHYL-2-(2-PHENYLACETAMIDO)THIOPHENE-3-CARBOXYLATE, METHYL 4-(3-CHLOROPHENYL)-5-METHYL-2-[(2-PHENYLACETYL)AMINO]-3-THIOPHENECARBOXYLATE
| Molecular Formula | C21H18ClNO3S |
|---|---|
| Molecular Weight | 399.07 g/mol |
| LogP | 5.34472 |
| Topological Polar Surface Area | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 399.06958 |
| Heavy Atoms | 27 |
| Complexity | 982.34674 |
Chemical Identifiers
| CAS Number | 445013-22-9 |
|---|---|
| SMILES | CC1=C(C(=C(S1)NC(=O)CC2=CC=CC=C2)C(=O)OC)C3=CC(=CC=C3)Cl |
Product Overview
methyl 4-(3-chlorophenyl)-5-methyl-2-[(phenylacetyl)amino]thiophene-3-carboxylate (CAS 445013-22-9), with molecular formula C21H18ClNO3S and molecular weight 399.07 g/mol. IUPAC: methyl 4-(3-chlorophenyl)-5-methyl-2-[(2-phenylacetyl)amino]thiophene-3-carboxylate.
Chemical Property Profile of methyl 4-(3-chlorophenyl)-5-methyl-2-[(phenylacetyl)amino]thiophene-3-carboxylate
Property Insights of methyl 4-(3-chlorophenyl)-5-methyl-2-[(phenylacetyl)amino]thiophene-3-carboxylate
The XLogP value of 5.34472 indicates that methyl 4-(3-chlorophenyl)-5-methyl-2-[(phenylacetyl)amino]thiophene-3-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.4 Ų, methyl 4-(3-chlorophenyl)-5-methyl-2-[(phenylacetyl)amino]thiophene-3-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, methyl 4-(3-chlorophenyl)-5-methyl-2-[(phenylacetyl)amino]thiophene-3-carboxylate 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 methyl 4-(3-chlorophenyl)-5-methyl-2-[(phenylacetyl)amino]thiophene-3-carboxylate?
The CAS number of methyl 4-(3-chlorophenyl)-5-methyl-2-[(phenylacetyl)amino]thiophene-3-carboxylate is 445013-22-9.
What is the molecular formula of methyl 4-(3-chlorophenyl)-5-methyl-2-[(phenylacetyl)amino]thiophene-3-carboxylate?
The molecular formula of methyl 4-(3-chlorophenyl)-5-methyl-2-[(phenylacetyl)amino]thiophene-3-carboxylate is C21H18ClNO3S.
What is the molecular weight of methyl 4-(3-chlorophenyl)-5-methyl-2-[(phenylacetyl)amino]thiophene-3-carboxylate?
The molecular weight of methyl 4-(3-chlorophenyl)-5-methyl-2-[(phenylacetyl)amino]thiophene-3-carboxylate is 399.07 g/mol.
Where can I buy methyl 4-(3-chlorophenyl)-5-methyl-2-[(phenylacetyl)amino]thiophene-3-carboxylate?
You can request a quote for methyl 4-(3-chlorophenyl)-5-methyl-2-[(phenylacetyl)amino]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 methyl 4-(3-chlorophenyl)-5-methyl-2-[(phenylacetyl)amino]thiophene-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for methyl 4-(3-chlorophenyl)-5-methyl-2-[(phenylacetyl)amino]thiophene-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.