1-Hexanol, 4-chloro, acetate
TL;DR: 1-Hexanol, 4-chloro, acetate (CAS 84077-91-8) 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.
4-chlorohexyl acetate
Also Known As: 4-chlorohexyl acetate, 1-Hexanol, 4-chloro, acetate, 4-Chlor-hexyl-acetat- (1)
| Molecular Formula | C8H15ClO2 |
|---|---|
| Molecular Weight | 178.08 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 6 |
| Exact Mass | 178.07605 |
| Heavy Atoms | 11 |
| Complexity | 115.0 |
Chemical Identifiers
| CAS Number | 84077-91-8 |
|---|---|
| SMILES | CCC(CCCOC(=O)C)Cl |
| InChIKey | LZMYRADTRZICRG-UHFFFAOYSA-N |
Product Overview
1-Hexanol, 4-chloro, acetate (CAS 84077-91-8), with molecular formula C8H15ClO2 and molecular weight 178.08 g/mol. IUPAC: 4-chlorohexyl acetate.
Chemical Property Profile of 1-Hexanol, 4-chloro, acetate
Property Insights of 1-Hexanol, 4-chloro, acetate
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Hexanol, 4-chloro, acetate. With a topological polar surface area (TPSA) of 26.3 Ų, 1-Hexanol, 4-chloro, acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Hexanol, 4-chloro, acetate 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 1-Hexanol, 4-chloro, acetate?
The CAS number of 1-Hexanol, 4-chloro, acetate is 84077-91-8.
What is the molecular formula of 1-Hexanol, 4-chloro, acetate?
The molecular formula of 1-Hexanol, 4-chloro, acetate is C8H15ClO2.
What is the molecular weight of 1-Hexanol, 4-chloro, acetate?
The molecular weight of 1-Hexanol, 4-chloro, acetate is 178.08 g/mol.
Where can I buy 1-Hexanol, 4-chloro, acetate?
You can request a quote for 1-Hexanol, 4-chloro, acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Hexanol, 4-chloro, acetate?
Yes, KEHONG BIO provides custom synthesis services for 1-Hexanol, 4-chloro, acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.