1-(2,5-Dichlorothiophen-3-yl)-3-(4-fluoroanilino)prop-2-en-1-one
TL;DR: 1-(2,5-Dichlorothiophen-3-yl)-3-(4-fluoroanilino)prop-2-en-1-one (CAS 338402-14-5) is a chemical compound with molecular formula C13H8Cl2FNOS and molecular weight 314.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(2,5-dichlorothiophen-3-yl)-3-(4-fluoroanilino)prop-2-en-1-one
Also Known As: 1-(2,5-dichlorothiophen-3-yl)-3-(4-fluoroanilino)prop-2-en-1-one, (E)-1-(2,5-dichloro-3-thienyl)-3-(4-fluoroanilino)-2-propen-1-one
| Molecular Formula | C13H8Cl2FNOS |
|---|---|
| Molecular Weight | 314.97 g/mol |
| LogP | 5.0025 |
| Topological Polar Surface Area | 29.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 314.96878 |
| Heavy Atoms | 19 |
| Complexity | 622.0735 |
Chemical Identifiers
| CAS Number | 338402-14-5 |
|---|---|
| SMILES | C1=CC(=CC=C1NC=CC(=O)C2=C(SC(=C2)Cl)Cl)F |
Product Overview
1-(2,5-Dichlorothiophen-3-yl)-3-(4-fluoroanilino)prop-2-en-1-one (CAS 338402-14-5), with molecular formula C13H8Cl2FNOS and molecular weight 314.97 g/mol. IUPAC: 1-(2,5-dichlorothiophen-3-yl)-3-(4-fluoroanilino)prop-2-en-1-one.
Chemical Property Profile of 1-(2,5-Dichlorothiophen-3-yl)-3-(4-fluoroanilino)prop-2-en-1-one
Property Insights of 1-(2,5-Dichlorothiophen-3-yl)-3-(4-fluoroanilino)prop-2-en-1-one
The XLogP value of 5.0025 indicates that 1-(2,5-Dichlorothiophen-3-yl)-3-(4-fluoroanilino)prop-2-en-1-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 29.1 Ų, 1-(2,5-Dichlorothiophen-3-yl)-3-(4-fluoroanilino)prop-2-en-1-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(2,5-Dichlorothiophen-3-yl)-3-(4-fluoroanilino)prop-2-en-1-one has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1-(2,5-Dichlorothiophen-3-yl)-3-(4-fluoroanilino)prop-2-en-1-one?
The CAS number of 1-(2,5-Dichlorothiophen-3-yl)-3-(4-fluoroanilino)prop-2-en-1-one is 338402-14-5.
What is the molecular formula of 1-(2,5-Dichlorothiophen-3-yl)-3-(4-fluoroanilino)prop-2-en-1-one?
The molecular formula of 1-(2,5-Dichlorothiophen-3-yl)-3-(4-fluoroanilino)prop-2-en-1-one is C13H8Cl2FNOS.
What is the molecular weight of 1-(2,5-Dichlorothiophen-3-yl)-3-(4-fluoroanilino)prop-2-en-1-one?
The molecular weight of 1-(2,5-Dichlorothiophen-3-yl)-3-(4-fluoroanilino)prop-2-en-1-one is 314.97 g/mol.
Where can I buy 1-(2,5-Dichlorothiophen-3-yl)-3-(4-fluoroanilino)prop-2-en-1-one?
You can request a quote for 1-(2,5-Dichlorothiophen-3-yl)-3-(4-fluoroanilino)prop-2-en-1-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(2,5-Dichlorothiophen-3-yl)-3-(4-fluoroanilino)prop-2-en-1-one?
Yes, KEHONG BIO provides custom synthesis services for 1-(2,5-Dichlorothiophen-3-yl)-3-(4-fluoroanilino)prop-2-en-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.