1,8-Dichloroocta-3,5-diene
TL;DR: 1,8-Dichloroocta-3,5-diene (CAS 55682-96-7) is a chemical compound with molecular formula C8H12Cl2 and molecular weight 178.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,8-dichloroocta-3,5-diene
Also Known As: 1,8-dichloroocta-3,5-diene
| Molecular Formula | C8H12Cl2 |
|---|---|
| Molecular Weight | 178.03 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 5 |
| Exact Mass | 178.0316 |
| Heavy Atoms | 10 |
| Complexity | 91.0 |
Chemical Identifiers
| CAS Number | 55682-96-7 |
|---|---|
| SMILES | C(CCl)C=CC=CCCCl |
| InChIKey | OBEMTTVLQFDSPD-UHFFFAOYSA-N |
Product Overview
1,8-Dichloroocta-3,5-diene (CAS 55682-96-7), with molecular formula C8H12Cl2 and molecular weight 178.03 g/mol. IUPAC: 1,8-dichloroocta-3,5-diene.
Chemical Property Profile of 1,8-Dichloroocta-3,5-diene
Property Insights of 1,8-Dichloroocta-3,5-diene
The XLogP value of 3.3 indicates that 1,8-Dichloroocta-3,5-diene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, 1,8-Dichloroocta-3,5-diene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,8-Dichloroocta-3,5-diene 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 1,8-Dichloroocta-3,5-diene?
The CAS number of 1,8-Dichloroocta-3,5-diene is 55682-96-7.
What is the molecular formula of 1,8-Dichloroocta-3,5-diene?
The molecular formula of 1,8-Dichloroocta-3,5-diene is C8H12Cl2.
What is the molecular weight of 1,8-Dichloroocta-3,5-diene?
The molecular weight of 1,8-Dichloroocta-3,5-diene is 178.03 g/mol.
Where can I buy 1,8-Dichloroocta-3,5-diene?
You can request a quote for 1,8-Dichloroocta-3,5-diene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,8-Dichloroocta-3,5-diene?
Yes, KEHONG BIO provides custom synthesis services for 1,8-Dichloroocta-3,5-diene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.