3,4-Dichloro-2,5-bis(chloromethyl)hexa-1,5-diene
TL;DR: 3,4-Dichloro-2,5-bis(chloromethyl)hexa-1,5-diene (CAS 83682-52-4) is a chemical compound with molecular formula C8H10Cl4 and molecular weight 245.95 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,4-dichloro-2,5-bis(chloromethyl)hexa-1,5-diene
Also Known As: 3,4-dichloro-2,5-bis(chloromethyl)hexa-1,5-diene, J1.596.139B, 1,5-Hexadiene, 3,4-dichloro-2,5-bis(chloromethyl)-, 3,4-Dichloro-2,5-bis(chloromethyl)-1,5-hexadiene, 2,5-BIS(CHLOROMETHYL)-3,4-DICHLORO-1,5-HEXADIE*
| Molecular Formula | C8H10Cl4 |
|---|---|
| Molecular Weight | 245.95 g/mol |
| LogP | 4.1 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 5 |
| Exact Mass | 247.95071 |
| Heavy Atoms | 12 |
| Complexity | 156.0 |
Chemical Identifiers
| CAS Number | 83682-52-4 |
|---|---|
| SMILES | C=C(CCl)C(C(C(=C)CCl)Cl)Cl |
| InChIKey | NNHTVGBACATKNZ-UHFFFAOYSA-N |
Product Overview
3,4-Dichloro-2,5-bis(chloromethyl)hexa-1,5-diene (CAS 83682-52-4), with molecular formula C8H10Cl4 and molecular weight 245.95 g/mol. IUPAC: 3,4-dichloro-2,5-bis(chloromethyl)hexa-1,5-diene.
Chemical Property Profile of 3,4-Dichloro-2,5-bis(chloromethyl)hexa-1,5-diene
Property Insights of 3,4-Dichloro-2,5-bis(chloromethyl)hexa-1,5-diene
The XLogP value of 4.1 indicates that 3,4-Dichloro-2,5-bis(chloromethyl)hexa-1,5-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, 3,4-Dichloro-2,5-bis(chloromethyl)hexa-1,5-diene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,4-Dichloro-2,5-bis(chloromethyl)hexa-1,5-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 3,4-Dichloro-2,5-bis(chloromethyl)hexa-1,5-diene?
The CAS number of 3,4-Dichloro-2,5-bis(chloromethyl)hexa-1,5-diene is 83682-52-4.
What is the molecular formula of 3,4-Dichloro-2,5-bis(chloromethyl)hexa-1,5-diene?
The molecular formula of 3,4-Dichloro-2,5-bis(chloromethyl)hexa-1,5-diene is C8H10Cl4.
What is the molecular weight of 3,4-Dichloro-2,5-bis(chloromethyl)hexa-1,5-diene?
The molecular weight of 3,4-Dichloro-2,5-bis(chloromethyl)hexa-1,5-diene is 245.95 g/mol.
Where can I buy 3,4-Dichloro-2,5-bis(chloromethyl)hexa-1,5-diene?
You can request a quote for 3,4-Dichloro-2,5-bis(chloromethyl)hexa-1,5-diene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,4-Dichloro-2,5-bis(chloromethyl)hexa-1,5-diene?
Yes, KEHONG BIO provides custom synthesis services for 3,4-Dichloro-2,5-bis(chloromethyl)hexa-1,5-diene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.