4,4,4-trichloro-1-(5-chlorothiophen-2-yl)-3-(2,2,2-trichloro-1-hydroxyethoxy)butan-1-one
TL;DR: 4,4,4-trichloro-1-(5-chlorothiophen-2-yl)-3-(2,2,2-trichloro-1-hydroxyethoxy)butan-1-one (CAS 301655-27-6) is a chemical compound with molecular formula C10H7Cl7O3S and molecular weight 451.79 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4,4,4-trichloro-1-(5-chlorothiophen-2-yl)-3-(2,2,2-trichloro-1-hydroxyethoxy)butan-1-one
Also Known As: 4,4,4-trichloro-1-(5-chlorothiophen-2-yl)-3-(2,2,2-trichloro-1-hydroxyethoxy)butan-1-one, 4,4,4-trichloro-1-(5-chlorothiophen-2-yl)-3-(2,2,2-trichloro-1-hydroxy-ethoxy)butan-1-one
| Molecular Formula | C10H7Cl7O3S |
|---|---|
| Molecular Weight | 451.79 g/mol |
| LogP | 5.4183 |
| Topological Polar Surface Area | 46.53 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 451.79355 |
| Heavy Atoms | 21 |
| Complexity | 493.57614 |
Chemical Identifiers
| CAS Number | 301655-27-6 |
|---|---|
| SMILES | C1=C(SC(=C1)Cl)C(=O)CC(C(Cl)(Cl)Cl)OC(C(Cl)(Cl)Cl)O |
Product Overview
4,4,4-trichloro-1-(5-chlorothiophen-2-yl)-3-(2,2,2-trichloro-1-hydroxyethoxy)butan-1-one (CAS 301655-27-6), with molecular formula C10H7Cl7O3S and molecular weight 451.79 g/mol. IUPAC: 4,4,4-trichloro-1-(5-chlorothiophen-2-yl)-3-(2,2,2-trichloro-1-hydroxyethoxy)butan-1-one.
Chemical Property Profile of 4,4,4-trichloro-1-(5-chlorothiophen-2-yl)-3-(2,2,2-trichloro-1-hydroxyethoxy)butan-1-one
Property Insights of 4,4,4-trichloro-1-(5-chlorothiophen-2-yl)-3-(2,2,2-trichloro-1-hydroxyethoxy)butan-1-one
The XLogP value of 5.4183 indicates that 4,4,4-trichloro-1-(5-chlorothiophen-2-yl)-3-(2,2,2-trichloro-1-hydroxyethoxy)butan-1-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 46.53 Ų, 4,4,4-trichloro-1-(5-chlorothiophen-2-yl)-3-(2,2,2-trichloro-1-hydroxyethoxy)butan-1-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4,4,4-trichloro-1-(5-chlorothiophen-2-yl)-3-(2,2,2-trichloro-1-hydroxyethoxy)butan-1-one 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 4,4,4-trichloro-1-(5-chlorothiophen-2-yl)-3-(2,2,2-trichloro-1-hydroxyethoxy)butan-1-one?
The CAS number of 4,4,4-trichloro-1-(5-chlorothiophen-2-yl)-3-(2,2,2-trichloro-1-hydroxyethoxy)butan-1-one is 301655-27-6.
What is the molecular formula of 4,4,4-trichloro-1-(5-chlorothiophen-2-yl)-3-(2,2,2-trichloro-1-hydroxyethoxy)butan-1-one?
The molecular formula of 4,4,4-trichloro-1-(5-chlorothiophen-2-yl)-3-(2,2,2-trichloro-1-hydroxyethoxy)butan-1-one is C10H7Cl7O3S.
What is the molecular weight of 4,4,4-trichloro-1-(5-chlorothiophen-2-yl)-3-(2,2,2-trichloro-1-hydroxyethoxy)butan-1-one?
The molecular weight of 4,4,4-trichloro-1-(5-chlorothiophen-2-yl)-3-(2,2,2-trichloro-1-hydroxyethoxy)butan-1-one is 451.79 g/mol.
Where can I buy 4,4,4-trichloro-1-(5-chlorothiophen-2-yl)-3-(2,2,2-trichloro-1-hydroxyethoxy)butan-1-one?
You can request a quote for 4,4,4-trichloro-1-(5-chlorothiophen-2-yl)-3-(2,2,2-trichloro-1-hydroxyethoxy)butan-1-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4,4,4-trichloro-1-(5-chlorothiophen-2-yl)-3-(2,2,2-trichloro-1-hydroxyethoxy)butan-1-one?
Yes, KEHONG BIO provides custom synthesis services for 4,4,4-trichloro-1-(5-chlorothiophen-2-yl)-3-(2,2,2-trichloro-1-hydroxyethoxy)butan-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.