2-Chloro-2-(chloro(phenyl)methyl)-5-methyl-1-benzothiophen-3(2H)-one
TL;DR: 2-Chloro-2-(chloro(phenyl)methyl)-5-methyl-1-benzothiophen-3(2H)-one (CAS 63743-71-5) is a chemical compound with molecular formula C16H12Cl2OS and molecular weight 322.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-chloro-2-[chloro(phenyl)methyl]-5-methyl-1-benzothiophen-3-one
Also Known As: Pentane,1-isocyano-2,2,4-trimethyl, 2-Chloro-2-(chloro(phenyl)methyl)-5-methyl-1-benzothiophen-3(2H)-one, 2-chloro-2-[chloro(phenyl)methyl]-5-methyl-1-benzothiophen-3-one, 2-chloro-2-[chloro(phenyl)methyl]-5-methyl-1-benzothiophen-3, 2-chloro-2-[chloro(phenyl)methyl]-5-methyl-benzothiophen-3-one
| Molecular Formula | C16H12Cl2OS |
|---|---|
| Molecular Weight | 322.00 g/mol |
| LogP | 5.0 |
| Topological Polar Surface Area | 42.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 321.9986 |
| Heavy Atoms | 20 |
| Complexity | 383.0 |
Chemical Identifiers
| CAS Number | 63743-71-5 |
|---|---|
| SMILES | CC1=CC2=C(C=C1)SC(C2=O)(C(C3=CC=CC=C3)Cl)Cl |
| InChIKey | UUNNIHVNWOGCQJ-UHFFFAOYSA-N |
Product Overview
2-Chloro-2-(chloro(phenyl)methyl)-5-methyl-1-benzothiophen-3(2H)-one (CAS 63743-71-5), with molecular formula C16H12Cl2OS and molecular weight 322.00 g/mol. IUPAC: 2-chloro-2-[chloro(phenyl)methyl]-5-methyl-1-benzothiophen-3-one.
Chemical Property Profile of 2-Chloro-2-(chloro(phenyl)methyl)-5-methyl-1-benzothiophen-3(2H)-one
Property Insights of 2-Chloro-2-(chloro(phenyl)methyl)-5-methyl-1-benzothiophen-3(2H)-one
The XLogP value of 5.0 indicates that 2-Chloro-2-(chloro(phenyl)methyl)-5-methyl-1-benzothiophen-3(2H)-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 42.4 Ų, 2-Chloro-2-(chloro(phenyl)methyl)-5-methyl-1-benzothiophen-3(2H)-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Chloro-2-(chloro(phenyl)methyl)-5-methyl-1-benzothiophen-3(2H)-one has 0 hydrogen bond donor(s) and 2 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-Chloro-2-(chloro(phenyl)methyl)-5-methyl-1-benzothiophen-3(2H)-one?
The CAS number of 2-Chloro-2-(chloro(phenyl)methyl)-5-methyl-1-benzothiophen-3(2H)-one is 63743-71-5.
What is the molecular formula of 2-Chloro-2-(chloro(phenyl)methyl)-5-methyl-1-benzothiophen-3(2H)-one?
The molecular formula of 2-Chloro-2-(chloro(phenyl)methyl)-5-methyl-1-benzothiophen-3(2H)-one is C16H12Cl2OS.
What is the molecular weight of 2-Chloro-2-(chloro(phenyl)methyl)-5-methyl-1-benzothiophen-3(2H)-one?
The molecular weight of 2-Chloro-2-(chloro(phenyl)methyl)-5-methyl-1-benzothiophen-3(2H)-one is 322.00 g/mol.
Where can I buy 2-Chloro-2-(chloro(phenyl)methyl)-5-methyl-1-benzothiophen-3(2H)-one?
You can request a quote for 2-Chloro-2-(chloro(phenyl)methyl)-5-methyl-1-benzothiophen-3(2H)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Chloro-2-(chloro(phenyl)methyl)-5-methyl-1-benzothiophen-3(2H)-one?
Yes, KEHONG BIO provides custom synthesis services for 2-Chloro-2-(chloro(phenyl)methyl)-5-methyl-1-benzothiophen-3(2H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.