3-Methylhexa-1,3,5-triene
TL;DR: 3-Methylhexa-1,3,5-triene (CAS 64448-93-7) is a chemical compound with molecular formula C7H10 and molecular weight 94.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methylhexa-1,3,5-triene
Also Known As: 3-methyl-hexatriene, 3-METHYLHEXA-1,3,5-TRIENE, 3-methyl-1,3,5-hexatrien, 1,3,5-Hexatriene, 3-methyl-, (Z)-3-methyl-1,3,5-hexatriene
| Molecular Formula | C7H10 |
|---|---|
| Molecular Weight | 94.08 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 2 |
| Exact Mass | 94.07825 |
| Heavy Atoms | 7 |
| Complexity | 96.0 |
Chemical Identifiers
| CAS Number | 64448-93-7 |
|---|---|
| SMILES | CC(=CC=C)C=C |
| InChIKey | NEVFABBVOIJXHE-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Methylhexa-1,3,5-triene (CAS 64448-93-7), with molecular formula C7H10 and molecular weight 94.08 g/mol. IUPAC: 3-methylhexa-1,3,5-triene.
Chemical Property Profile of 3-Methylhexa-1,3,5-triene
Property Insights of 3-Methylhexa-1,3,5-triene
The XLogP value of 3.1 indicates that 3-Methylhexa-1,3,5-triene 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-Methylhexa-1,3,5-triene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Methylhexa-1,3,5-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-Methylhexa-1,3,5-triene?
The CAS number of 3-Methylhexa-1,3,5-triene is 64448-93-7.
What is the molecular formula of 3-Methylhexa-1,3,5-triene?
The molecular formula of 3-Methylhexa-1,3,5-triene is C7H10.
What is the molecular weight of 3-Methylhexa-1,3,5-triene?
The molecular weight of 3-Methylhexa-1,3,5-triene is 94.08 g/mol.
Where can I buy 3-Methylhexa-1,3,5-triene?
You can request a quote for 3-Methylhexa-1,3,5-triene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Methylhexa-1,3,5-triene?
Yes, KEHONG BIO provides custom synthesis services for 3-Methylhexa-1,3,5-triene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.