4-(2-Chloroethyl)hepta-1,6-dien-4-ol
TL;DR: 4-(2-Chloroethyl)hepta-1,6-dien-4-ol (CAS 86816-17-3) is a chemical compound with molecular formula C9H15ClO and molecular weight 174.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(2-chloroethyl)hepta-1,6-dien-4-ol
Also Known As: 4-(2-chloroethyl)hepta-1,6-dien-4-ol, 4-(2-Chloroethyl)-4-hydroxy-1,6-heptadiene, 1,6-heptadien-4-ol, 4-(2-chloroethyl)-, 4-(2-chloro-ethyl)-hepta-1,6-dien-4-ol, InChI=1/C9H15ClO/c1-3-5-9(11,6-4-2)7-8-10/h3-4,11H,1-2,5-8H
| Molecular Formula | C9H15ClO |
|---|---|
| Molecular Weight | 174.08 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 20.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 6 |
| Exact Mass | 174.08115 |
| Heavy Atoms | 11 |
| Complexity | 122.0 |
Chemical Identifiers
| CAS Number | 86816-17-3 |
|---|---|
| SMILES | C=CCC(CCCl)(CC=C)O |
| InChIKey | XEOZWRUEGKFCKG-UHFFFAOYSA-N |
Product Overview
4-(2-Chloroethyl)hepta-1,6-dien-4-ol (CAS 86816-17-3), with molecular formula C9H15ClO and molecular weight 174.08 g/mol. IUPAC: 4-(2-chloroethyl)hepta-1,6-dien-4-ol.
Chemical Property Profile of 4-(2-Chloroethyl)hepta-1,6-dien-4-ol
Property Insights of 4-(2-Chloroethyl)hepta-1,6-dien-4-ol
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(2-Chloroethyl)hepta-1,6-dien-4-ol. With a topological polar surface area (TPSA) of 20.2 Ų, 4-(2-Chloroethyl)hepta-1,6-dien-4-ol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(2-Chloroethyl)hepta-1,6-dien-4-ol has 1 hydrogen bond donor(s) and 1 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 4-(2-Chloroethyl)hepta-1,6-dien-4-ol?
The CAS number of 4-(2-Chloroethyl)hepta-1,6-dien-4-ol is 86816-17-3.
What is the molecular formula of 4-(2-Chloroethyl)hepta-1,6-dien-4-ol?
The molecular formula of 4-(2-Chloroethyl)hepta-1,6-dien-4-ol is C9H15ClO.
What is the molecular weight of 4-(2-Chloroethyl)hepta-1,6-dien-4-ol?
The molecular weight of 4-(2-Chloroethyl)hepta-1,6-dien-4-ol is 174.08 g/mol.
Where can I buy 4-(2-Chloroethyl)hepta-1,6-dien-4-ol?
You can request a quote for 4-(2-Chloroethyl)hepta-1,6-dien-4-ol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(2-Chloroethyl)hepta-1,6-dien-4-ol?
Yes, KEHONG BIO provides custom synthesis services for 4-(2-Chloroethyl)hepta-1,6-dien-4-ol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.