2-Chlorooctane
TL;DR: 2-Chlorooctane (CAS 628-61-5) is a chemical compound with molecular formula C8H17Cl and molecular weight 148.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-chlorooctane
Also Known As: 2-CHLOROOCTANE, Octane, 2-chloro-, 2-Octyl chloride, 1-Methylheptyl chloride, Heptanamide
| Molecular Formula | C8H17Cl |
|---|---|
| Molecular Weight | 148.10 g/mol |
| LogP | 4.2 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 5 |
| Exact Mass | 148.10188 |
| Heavy Atoms | 9 |
| Complexity | 52.0 |
| Vapor Pressure | 1.37 [mmHg] |
Chemical Identifiers
| CAS Number | 628-61-5 |
|---|---|
| SMILES | CCCCCCC(C)Cl |
| InChIKey | HKDCIIMOALDWHF-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 10 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Chlorooctane (CAS 628-61-5), with molecular formula C8H17Cl and molecular weight 148.10 g/mol. IUPAC: 2-chlorooctane.
Chemical Property Profile of 2-Chlorooctane
Property Insights of 2-Chlorooctane
The XLogP value of 4.2 indicates that 2-Chlorooctane is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, 2-Chlorooctane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Chlorooctane has 0 hydrogen bond donor(s) and 0 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-Chlorooctane?
The CAS number of 2-Chlorooctane is 628-61-5.
What is the molecular formula of 2-Chlorooctane?
The molecular formula of 2-Chlorooctane is C8H17Cl.
What is the molecular weight of 2-Chlorooctane?
The molecular weight of 2-Chlorooctane is 148.10 g/mol.
Where can I buy 2-Chlorooctane?
You can request a quote for 2-Chlorooctane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Chlorooctane?
Yes, KEHONG BIO provides custom synthesis services for 2-Chlorooctane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.