5-Methylhexa-2,3-diene
TL;DR: 5-Methylhexa-2,3-diene (CAS 805-94-7) 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.
5-methylhexa-2,3-diene
Also Known As: 5-methylhexa-2,3-diene, 2,3-Hexadiene, 5-methyl-, 2-Methyl-hexa-3,4-dien, 2,3-Hexadiene,5-methyl-
| Molecular Formula | C7H12 |
|---|---|
| Molecular Weight | 96.09 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 1 |
| Exact Mass | 96.0939 |
| Heavy Atoms | 7 |
| Complexity | 82.0 |
Chemical Identifiers
| CAS Number | 805-94-7 |
|---|---|
| SMILES | CC=C=CC(C)C |
| InChIKey | PRBHMWKFRHQKTB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
5-Methylhexa-2,3-diene (CAS 805-94-7), with molecular formula C7H12 and molecular weight 96.09 g/mol. IUPAC: 5-methylhexa-2,3-diene.
Chemical Property Profile of 5-Methylhexa-2,3-diene
Property Insights of 5-Methylhexa-2,3-diene
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Methylhexa-2,3-diene. With a topological polar surface area (TPSA) of 0.0 Ų, 5-Methylhexa-2,3-diene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-Methylhexa-2,3-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 5-Methylhexa-2,3-diene?
The CAS number of 5-Methylhexa-2,3-diene is 805-94-7.
What is the molecular formula of 5-Methylhexa-2,3-diene?
The molecular formula of 5-Methylhexa-2,3-diene is C7H12.
What is the molecular weight of 5-Methylhexa-2,3-diene?
The molecular weight of 5-Methylhexa-2,3-diene is 96.09 g/mol.
Where can I buy 5-Methylhexa-2,3-diene?
You can request a quote for 5-Methylhexa-2,3-diene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Methylhexa-2,3-diene?
Yes, KEHONG BIO provides custom synthesis services for 5-Methylhexa-2,3-diene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.