1,3-Hexadiene, 4-chloro-2,3-dimethyl-, (E)-
TL;DR: 1,3-Hexadiene, 4-chloro-2,3-dimethyl-, (E)- (CAS 105949-72-2) is a chemical compound with molecular formula C8H13Cl and molecular weight 144.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-chloro-2,3-dimethylhexa-1,3-diene
Also Known As: 1,3-Hexadiene, 4-chloro-2,3-dimethyl-, (E)-, 4-chloro-2,3-dimethylhexa-1,3-diene
| Molecular Formula | C8H13Cl |
|---|---|
| Molecular Weight | 144.07 g/mol |
| LogP | 4.2 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 2 |
| Exact Mass | 144.07057 |
| Heavy Atoms | 9 |
| Complexity | 143.0 |
Chemical Identifiers
| CAS Number | 105949-72-2 |
|---|---|
| SMILES | CCC(=C(C)C(=C)C)Cl |
| InChIKey | RIDCARBEKJXPKS-UHFFFAOYSA-N |
Product Overview
1,3-Hexadiene, 4-chloro-2,3-dimethyl-, (E)- (CAS 105949-72-2), with molecular formula C8H13Cl and molecular weight 144.07 g/mol. IUPAC: 4-chloro-2,3-dimethylhexa-1,3-diene.
Chemical Property Profile of 1,3-Hexadiene, 4-chloro-2,3-dimethyl-, (E)-
Property Insights of 1,3-Hexadiene, 4-chloro-2,3-dimethyl-, (E)-
The XLogP value of 4.2 indicates that 1,3-Hexadiene, 4-chloro-2,3-dimethyl-, (E)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, 1,3-Hexadiene, 4-chloro-2,3-dimethyl-, (E)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,3-Hexadiene, 4-chloro-2,3-dimethyl-, (E)- 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 1,3-Hexadiene, 4-chloro-2,3-dimethyl-, (E)-?
The CAS number of 1,3-Hexadiene, 4-chloro-2,3-dimethyl-, (E)- is 105949-72-2.
What is the molecular formula of 1,3-Hexadiene, 4-chloro-2,3-dimethyl-, (E)-?
The molecular formula of 1,3-Hexadiene, 4-chloro-2,3-dimethyl-, (E)- is C8H13Cl.
What is the molecular weight of 1,3-Hexadiene, 4-chloro-2,3-dimethyl-, (E)-?
The molecular weight of 1,3-Hexadiene, 4-chloro-2,3-dimethyl-, (E)- is 144.07 g/mol.
Where can I buy 1,3-Hexadiene, 4-chloro-2,3-dimethyl-, (E)-?
You can request a quote for 1,3-Hexadiene, 4-chloro-2,3-dimethyl-, (E)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3-Hexadiene, 4-chloro-2,3-dimethyl-, (E)-?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Hexadiene, 4-chloro-2,3-dimethyl-, (E)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.