3-Chlorohexa-1,2,5-triene
TL;DR: 3-Chlorohexa-1,2,5-triene (CAS 83682-35-3) is a chemical compound with molecular formula C6H7Cl and molecular weight 114.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-chlorohexa-1,2,5-triene
Also Known As: 3-CHLOROHEXA-1,2,5-TRIENE, 3-Chloro-1,2,5-hexatriene, J1.596.103A
| Molecular Formula | C6H7Cl |
|---|---|
| Molecular Weight | 114.02 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 2 |
| Exact Mass | 114.02363 |
| Heavy Atoms | 7 |
| Complexity | 107.0 |
Chemical Identifiers
| CAS Number | 83682-35-3 |
|---|---|
| SMILES | C=CCC(=C=C)Cl |
| InChIKey | VGTJGYKAJQORDD-UHFFFAOYSA-N |
Product Overview
3-Chlorohexa-1,2,5-triene (CAS 83682-35-3), with molecular formula C6H7Cl and molecular weight 114.02 g/mol. IUPAC: 3-chlorohexa-1,2,5-triene.
Chemical Property Profile of 3-Chlorohexa-1,2,5-triene
Property Insights of 3-Chlorohexa-1,2,5-triene
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Chlorohexa-1,2,5-triene. With a topological polar surface area (TPSA) of 0.0 Ų, 3-Chlorohexa-1,2,5-triene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Chlorohexa-1,2,5-triene 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-Chlorohexa-1,2,5-triene?
The CAS number of 3-Chlorohexa-1,2,5-triene is 83682-35-3.
What is the molecular formula of 3-Chlorohexa-1,2,5-triene?
The molecular formula of 3-Chlorohexa-1,2,5-triene is C6H7Cl.
What is the molecular weight of 3-Chlorohexa-1,2,5-triene?
The molecular weight of 3-Chlorohexa-1,2,5-triene is 114.02 g/mol.
Where can I buy 3-Chlorohexa-1,2,5-triene?
You can request a quote for 3-Chlorohexa-1,2,5-triene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Chlorohexa-1,2,5-triene?
Yes, KEHONG BIO provides custom synthesis services for 3-Chlorohexa-1,2,5-triene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.