5-Acetoxy-1-chlorohexane
TL;DR: 5-Acetoxy-1-chlorohexane (CAS 154885-34-4) is a chemical compound with molecular formula C8H15ClO2 and molecular weight 178.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-chlorohexan-2-yl acetate
Also Known As: 6-chlorohexan-2-yl Acetate, 5-acetoxy-1-chlorohexane, (R)-5-Acetoxy-1-chlorohexane, [(2R)-6-chlorohexan-2-yl] acetate
| Molecular Formula | C8H15ClO2 |
|---|---|
| Molecular Weight | 178.08 g/mol |
| LogP | 2.3471 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 178.07605 |
| Heavy Atoms | 11 |
| Complexity | 114.65968 |
Chemical Identifiers
| CAS Number | 154885-34-4 |
|---|---|
| SMILES | CC(CCCCCl)OC(=O)C |
Product Overview
5-Acetoxy-1-chlorohexane (CAS 154885-34-4), with molecular formula C8H15ClO2 and molecular weight 178.08 g/mol. IUPAC: 6-chlorohexan-2-yl acetate.
Chemical Property Profile of 5-Acetoxy-1-chlorohexane
Property Insights of 5-Acetoxy-1-chlorohexane
The XLogP value of 2.3471 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Acetoxy-1-chlorohexane. With a topological polar surface area (TPSA) of 26.3 Ų, 5-Acetoxy-1-chlorohexane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-Acetoxy-1-chlorohexane 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 5-Acetoxy-1-chlorohexane?
The CAS number of 5-Acetoxy-1-chlorohexane is 154885-34-4.
What is the molecular formula of 5-Acetoxy-1-chlorohexane?
The molecular formula of 5-Acetoxy-1-chlorohexane is C8H15ClO2.
What is the molecular weight of 5-Acetoxy-1-chlorohexane?
The molecular weight of 5-Acetoxy-1-chlorohexane is 178.08 g/mol.
Where can I buy 5-Acetoxy-1-chlorohexane?
You can request a quote for 5-Acetoxy-1-chlorohexane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Acetoxy-1-chlorohexane?
Yes, KEHONG BIO provides custom synthesis services for 5-Acetoxy-1-chlorohexane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.