3-Chloro-1,5-hexadiene
TL;DR: 3-Chloro-1,5-hexadiene (CAS 28522-31-8) is a chemical compound with molecular formula C6H9Cl and molecular weight 116.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-chlorohexa-1,5-diene
Also Known As: 3-chlorohexa-1,5-diene, 1,5-Hexadiene, 3-chloro-, 3-Chloro-1,5-hexadiene, 1,5-Hexadiene,3-chloro-, 3-Chloro-1,5-hexadiene #
| Molecular Formula | C6H9Cl |
|---|---|
| Molecular Weight | 116.04 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 3 |
| Exact Mass | 116.039276 |
| Heavy Atoms | 7 |
| Complexity | 66.0 |
Chemical Identifiers
| CAS Number | 28522-31-8 |
|---|---|
| SMILES | C=CCC(C=C)Cl |
| InChIKey | QLZVWAUEENUFIK-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Chloro-1,5-hexadiene (CAS 28522-31-8), with molecular formula C6H9Cl and molecular weight 116.04 g/mol. IUPAC: 3-chlorohexa-1,5-diene.
Chemical Property Profile of 3-Chloro-1,5-hexadiene
Property Insights of 3-Chloro-1,5-hexadiene
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Chloro-1,5-hexadiene. With a topological polar surface area (TPSA) of 0.0 Ų, 3-Chloro-1,5-hexadiene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Chloro-1,5-hexadiene 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 3-Chloro-1,5-hexadiene?
The CAS number of 3-Chloro-1,5-hexadiene is 28522-31-8.
What is the molecular formula of 3-Chloro-1,5-hexadiene?
The molecular formula of 3-Chloro-1,5-hexadiene is C6H9Cl.
What is the molecular weight of 3-Chloro-1,5-hexadiene?
The molecular weight of 3-Chloro-1,5-hexadiene is 116.04 g/mol.
Where can I buy 3-Chloro-1,5-hexadiene?
You can request a quote for 3-Chloro-1,5-hexadiene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Chloro-1,5-hexadiene?
Yes, KEHONG BIO provides custom synthesis services for 3-Chloro-1,5-hexadiene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.