2,4-Dimethyl-1,4-pentadiene
TL;DR: 2,4-Dimethyl-1,4-pentadiene (CAS 4161-65-3) is a chemical compound with molecular formula C7H12 and molecular weight 96.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,4-dimethylpenta-1,4-diene
Also Known As: 2,4-Dimethyl-1,4-pentadiene, 2,4-dimethylpenta-1,4-diene, 2,4-Dimethyl 1,4-pentadiene, 2,4-Dimethyl-penta-1,4-dien, RefChem:1059756
| Molecular Formula | C7H12 |
|---|---|
| Molecular Weight | 96.09 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 2 |
| Exact Mass | 96.0939 |
| Heavy Atoms | 7 |
| Complexity | 76.0 |
Chemical Identifiers
| CAS Number | 4161-65-3 |
|---|---|
| SMILES | CC(=C)CC(=C)C |
| InChIKey | ANKJYUSZUBOYDV-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 8 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2,4-Dimethyl-1,4-pentadiene (CAS 4161-65-3), with molecular formula C7H12 and molecular weight 96.09 g/mol. IUPAC: 2,4-dimethylpenta-1,4-diene.
Chemical Property Profile of 2,4-Dimethyl-1,4-pentadiene
Property Insights of 2,4-Dimethyl-1,4-pentadiene
The XLogP value of 3.4 indicates that 2,4-Dimethyl-1,4-pentadiene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, 2,4-Dimethyl-1,4-pentadiene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,4-Dimethyl-1,4-pentadiene 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 2,4-Dimethyl-1,4-pentadiene?
The CAS number of 2,4-Dimethyl-1,4-pentadiene is 4161-65-3.
What is the molecular formula of 2,4-Dimethyl-1,4-pentadiene?
The molecular formula of 2,4-Dimethyl-1,4-pentadiene is C7H12.
What is the molecular weight of 2,4-Dimethyl-1,4-pentadiene?
The molecular weight of 2,4-Dimethyl-1,4-pentadiene is 96.09 g/mol.
Where can I buy 2,4-Dimethyl-1,4-pentadiene?
You can request a quote for 2,4-Dimethyl-1,4-pentadiene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,4-Dimethyl-1,4-pentadiene?
Yes, KEHONG BIO provides custom synthesis services for 2,4-Dimethyl-1,4-pentadiene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.