Ethyl 3-(4-fluorosulfonylanilino)-3-phenylprop-2-enoate
TL;DR: Ethyl 3-(4-fluorosulfonylanilino)-3-phenylprop-2-enoate (CAS 31241-72-2) is a chemical compound with molecular formula C17H16FNO4S and molecular weight 349.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 3-(4-fluorosulfonylanilino)-3-phenylprop-2-enoate
Also Known As: Potassium,(tribromostannyl), ethyl 3-(4-fluorosulfonylanilino)-3-phenylprop-2-enoate, Ethyl 3-[4-(fluorosulfonyl)anilino]-3-phenylprop-2-enoate, ethyl 3-{[4-(fluorosulfonyl)phenyl]amino}-3-phenylprop-2-enoate, 2-Propenoic acid,3-[[4-(fluorosulfonyl)phenyl]amino]-3-phenyl-, ethyl ester
| Molecular Formula | C17H16FNO4S |
|---|---|
| Molecular Weight | 349.08 g/mol |
| LogP | 4.2 |
| Topological Polar Surface Area | 80.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 349.0784 |
| Heavy Atoms | 24 |
| Complexity | 541.0 |
Chemical Identifiers
| CAS Number | 31241-72-2 |
|---|---|
| SMILES | CCOC(=O)C=C(C1=CC=CC=C1)NC2=CC=C(C=C2)S(=O)(=O)F |
| InChIKey | GFSFCFPXSSPRDI-UHFFFAOYSA-N |
Product Overview
Ethyl 3-(4-fluorosulfonylanilino)-3-phenylprop-2-enoate (CAS 31241-72-2), with molecular formula C17H16FNO4S and molecular weight 349.08 g/mol. IUPAC: ethyl 3-(4-fluorosulfonylanilino)-3-phenylprop-2-enoate.
Chemical Property Profile of Ethyl 3-(4-fluorosulfonylanilino)-3-phenylprop-2-enoate
Property Insights of Ethyl 3-(4-fluorosulfonylanilino)-3-phenylprop-2-enoate
The XLogP value of 4.2 indicates that Ethyl 3-(4-fluorosulfonylanilino)-3-phenylprop-2-enoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 80.9 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 3-(4-fluorosulfonylanilino)-3-phenylprop-2-enoate. Following Lipinski's Rule of Five, Ethyl 3-(4-fluorosulfonylanilino)-3-phenylprop-2-enoate has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Ethyl 3-(4-fluorosulfonylanilino)-3-phenylprop-2-enoate?
The CAS number of Ethyl 3-(4-fluorosulfonylanilino)-3-phenylprop-2-enoate is 31241-72-2.
What is the molecular formula of Ethyl 3-(4-fluorosulfonylanilino)-3-phenylprop-2-enoate?
The molecular formula of Ethyl 3-(4-fluorosulfonylanilino)-3-phenylprop-2-enoate is C17H16FNO4S.
What is the molecular weight of Ethyl 3-(4-fluorosulfonylanilino)-3-phenylprop-2-enoate?
The molecular weight of Ethyl 3-(4-fluorosulfonylanilino)-3-phenylprop-2-enoate is 349.08 g/mol.
Where can I buy Ethyl 3-(4-fluorosulfonylanilino)-3-phenylprop-2-enoate?
You can request a quote for Ethyl 3-(4-fluorosulfonylanilino)-3-phenylprop-2-enoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 3-(4-fluorosulfonylanilino)-3-phenylprop-2-enoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 3-(4-fluorosulfonylanilino)-3-phenylprop-2-enoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.