2-Buten-1-one, 4-chloro-3-chlorodifluoromethyl-4,4-difluoro-1-(2-thienyl)-
TL;DR: 2-Buten-1-one, 4-chloro-3-chlorodifluoromethyl-4,4-difluoro-1-(2-thienyl)- (CAS 35444-10-1) is a chemical compound with molecular formula C9H4Cl2F4OS and molecular weight 305.93 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-chloro-3-[chloro(difluoro)methyl]-4,4-difluoro-1-thiophen-2-ylbut-2-en-1-one
Also Known As: 2-Buten-1-one,4-difluoro-1-(2-thienyl)-, 2-BUTEN-1-ONE, 4-CHLORO-3-CHLORODIFLUOROMETHYL-4,4-DIFLUORO-1-(2-THIENYL)-, 4-Chloro-3-chlorodifluoromethyl-4,4-difluoro-1-(2-thienyl)-2-buten-1-one, 4-chloro-3-(chloro-difluoro-methyl)-4,4-difluoro-1-thiophen-2-yl-but-2-en-1-one, 4-Chloro-3-(chlorodifluoromethyl)-4,4-difluoro-1-(2-thienyl)-2-buten-1-one
| Molecular Formula | C9H4Cl2F4OS |
|---|---|
| Molecular Weight | 305.93 g/mol |
| LogP | 4.6 |
| Topological Polar Surface Area | 45.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 305.9296 |
| Heavy Atoms | 17 |
| Complexity | 330.0 |
Chemical Identifiers
| CAS Number | 35444-10-1 |
|---|---|
| SMILES | C1=CSC(=C1)C(=O)C=C(C(F)(F)Cl)C(F)(F)Cl |
| InChIKey | CTAGHLPMGHMCQU-UHFFFAOYSA-N |
Product Overview
2-Buten-1-one, 4-chloro-3-chlorodifluoromethyl-4,4-difluoro-1-(2-thienyl)- (CAS 35444-10-1), with molecular formula C9H4Cl2F4OS and molecular weight 305.93 g/mol. IUPAC: 4-chloro-3-[chloro(difluoro)methyl]-4,4-difluoro-1-thiophen-2-ylbut-2-en-1-one.
Chemical Property Profile of 2-Buten-1-one, 4-chloro-3-chlorodifluoromethyl-4,4-difluoro-1-(2-thienyl)-
Property Insights of 2-Buten-1-one, 4-chloro-3-chlorodifluoromethyl-4,4-difluoro-1-(2-thienyl)-
The XLogP value of 4.6 indicates that 2-Buten-1-one, 4-chloro-3-chlorodifluoromethyl-4,4-difluoro-1-(2-thienyl)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 45.3 Ų, 2-Buten-1-one, 4-chloro-3-chlorodifluoromethyl-4,4-difluoro-1-(2-thienyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Buten-1-one, 4-chloro-3-chlorodifluoromethyl-4,4-difluoro-1-(2-thienyl)- has 0 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 2-Buten-1-one, 4-chloro-3-chlorodifluoromethyl-4,4-difluoro-1-(2-thienyl)-?
The CAS number of 2-Buten-1-one, 4-chloro-3-chlorodifluoromethyl-4,4-difluoro-1-(2-thienyl)- is 35444-10-1.
What is the molecular formula of 2-Buten-1-one, 4-chloro-3-chlorodifluoromethyl-4,4-difluoro-1-(2-thienyl)-?
The molecular formula of 2-Buten-1-one, 4-chloro-3-chlorodifluoromethyl-4,4-difluoro-1-(2-thienyl)- is C9H4Cl2F4OS.
What is the molecular weight of 2-Buten-1-one, 4-chloro-3-chlorodifluoromethyl-4,4-difluoro-1-(2-thienyl)-?
The molecular weight of 2-Buten-1-one, 4-chloro-3-chlorodifluoromethyl-4,4-difluoro-1-(2-thienyl)- is 305.93 g/mol.
Where can I buy 2-Buten-1-one, 4-chloro-3-chlorodifluoromethyl-4,4-difluoro-1-(2-thienyl)-?
You can request a quote for 2-Buten-1-one, 4-chloro-3-chlorodifluoromethyl-4,4-difluoro-1-(2-thienyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Buten-1-one, 4-chloro-3-chlorodifluoromethyl-4,4-difluoro-1-(2-thienyl)-?
Yes, KEHONG BIO provides custom synthesis services for 2-Buten-1-one, 4-chloro-3-chlorodifluoromethyl-4,4-difluoro-1-(2-thienyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.