邻氯苄基甲基亚砜
TL;DR: 邻氯苄基甲基亚砜 (CAS 26593-16-8) is a chemical compound with molecular formula C8H9ClOS and molecular weight 188.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
邻氯苄基甲基亚砜
1-chloro-2-(methylsulfinylmethyl)benzene
Also Known As: o-Chlorobenzyl methyl sulfoxide, DS 30, o-Chlorbenzyl-methylsulfoxid, 1-chloro-2-(methylsulfinylmethyl)benzene, 2-chlorobenzyl methyl sulfoxide
| Molecular Formula | C8H9ClOS |
|---|---|
| Molecular Weight | 188.01 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 36.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 188.00627 |
| Heavy Atoms | 11 |
| Complexity | 149.0 |
Chemical Identifiers
| CAS Number | 26593-16-8 |
|---|---|
| SMILES | CS(=O)CC1=CC=CC=C1Cl |
| InChIKey | XGQNVMKZJNFYKP-UHFFFAOYSA-N |
Product Overview
邻氯苄基甲基亚砜 (CAS 26593-16-8), with molecular formula C8H9ClOS and molecular weight 188.01 g/mol. IUPAC: 1-chloro-2-(methylsulfinylmethyl)benzene.
Chemical Property Profile of 邻氯苄基甲基亚砜
Property Insights of 邻氯苄基甲基亚砜
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 邻氯苄基甲基亚砜. With a topological polar surface area (TPSA) of 36.3 Ų, 邻氯苄基甲基亚砜 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 邻氯苄基甲基亚砜 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 邻氯苄基甲基亚砜?
The CAS number of 邻氯苄基甲基亚砜 is 26593-16-8.
What is the molecular formula of 邻氯苄基甲基亚砜?
The molecular formula of 邻氯苄基甲基亚砜 is C8H9ClOS.
What is the molecular weight of 邻氯苄基甲基亚砜?
The molecular weight of 邻氯苄基甲基亚砜 is 188.01 g/mol.
Where can I buy 邻氯苄基甲基亚砜?
You can request a quote for 邻氯苄基甲基亚砜 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 邻氯苄基甲基亚砜?
Yes, KEHONG BIO provides custom synthesis services for 邻氯苄基甲基亚砜 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.