![methyl 5-(4-fluorophenyl)-3-[(2,3,3-trichloroacryloyl)amino]thiophene-2-carboxylate structure](/static/products/6484/648410-22-4.webp)
methyl 5-(4-fluorophenyl)-3-[(2,3,3-trichloroacryloyl)amino]thiophene-2-carboxylate
TL;DR: methyl 5-(4-fluorophenyl)-3-[(2,3,3-trichloroacryloyl)amino]thiophene-2-carboxylate (CAS 648410-22-4) is a chemical compound with molecular formula C15H9Cl3FNO3S and molecular weight 406.94 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 5-(4-fluorophenyl)-3-(2,3,3-trichloroprop-2-enoylamino)thiophene-2-carboxylate
Also Known As: methyl 5-(4-fluorophenyl)-3-[(2,3,3-trichloroacryloyl)amino]thiophene-2-carboxylate, methyl 5-(4-fluorophenyl)-3-(2,3,3-trichloroprop-2-enoylamino)thiophene-2-carboxylate, methyl 5-(4-fluorophenyl)-3-(trichloroprop-2-enamido)thiophene-2-carboxylate
| Molecular Formula | C15H9Cl3FNO3S |
|---|---|
| Molecular Weight | 406.94 g/mol |
| LogP | 5.1648 |
| Topological Polar Surface Area | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 406.93527 |
| Heavy Atoms | 24 |
| Complexity | 813.8718 |
Chemical Identifiers
| CAS Number | 648410-22-4 |
|---|---|
| SMILES | COC(=O)C1=C(C=C(S1)C2=CC=C(C=C2)F)NC(=O)C(=C(Cl)Cl)Cl |
Product Overview
methyl 5-(4-fluorophenyl)-3-[(2,3,3-trichloroacryloyl)amino]thiophene-2-carboxylate (CAS 648410-22-4), with molecular formula C15H9Cl3FNO3S and molecular weight 406.94 g/mol. IUPAC: methyl 5-(4-fluorophenyl)-3-(2,3,3-trichloroprop-2-enoylamino)thiophene-2-carboxylate.
Chemical Property Profile of methyl 5-(4-fluorophenyl)-3-[(2,3,3-trichloroacryloyl)amino]thiophene-2-carboxylate
Property Insights of methyl 5-(4-fluorophenyl)-3-[(2,3,3-trichloroacryloyl)amino]thiophene-2-carboxylate
The XLogP value of 5.1648 indicates that methyl 5-(4-fluorophenyl)-3-[(2,3,3-trichloroacryloyl)amino]thiophene-2-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 5-(4-fluorophenyl)-3-[(2,3,3-trichloroacryloyl)amino]thiophene-2-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, methyl 5-(4-fluorophenyl)-3-[(2,3,3-trichloroacryloyl)amino]thiophene-2-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 5-(4-fluorophenyl)-3-[(2,3,3-trichloroacryloyl)amino]thiophene-2-carboxylate?
The CAS number of methyl 5-(4-fluorophenyl)-3-[(2,3,3-trichloroacryloyl)amino]thiophene-2-carboxylate is 648410-22-4.
What is the molecular formula of methyl 5-(4-fluorophenyl)-3-[(2,3,3-trichloroacryloyl)amino]thiophene-2-carboxylate?
The molecular formula of methyl 5-(4-fluorophenyl)-3-[(2,3,3-trichloroacryloyl)amino]thiophene-2-carboxylate is C15H9Cl3FNO3S.
What is the molecular weight of methyl 5-(4-fluorophenyl)-3-[(2,3,3-trichloroacryloyl)amino]thiophene-2-carboxylate?
The molecular weight of methyl 5-(4-fluorophenyl)-3-[(2,3,3-trichloroacryloyl)amino]thiophene-2-carboxylate is 406.94 g/mol.
Where can I buy methyl 5-(4-fluorophenyl)-3-[(2,3,3-trichloroacryloyl)amino]thiophene-2-carboxylate?
You can request a quote for methyl 5-(4-fluorophenyl)-3-[(2,3,3-trichloroacryloyl)amino]thiophene-2-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl 5-(4-fluorophenyl)-3-[(2,3,3-trichloroacryloyl)amino]thiophene-2-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for methyl 5-(4-fluorophenyl)-3-[(2,3,3-trichloroacryloyl)amino]thiophene-2-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.