Megastigmatriene
TL;DR: Megastigmatriene (CAS 74423-06-6) is a chemical compound with molecular formula C13H20 and molecular weight 176.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(1E)-buta-1,3-dienyl]-1,3,3-trimethylcyclohexene
Also Known As: Megastigmatriene, B-Ionene, 2-(1E)-1,3-Butadien-1-yl-1,3,3-trimethylcyclohexene, Cyclohexene, 2-(1E)-1,3-butadienyl-1,3,3-trimethyl-, J2.204.087A
| Molecular Formula | C13H20 |
|---|---|
| Molecular Weight | 176.16 g/mol |
| LogP | 4.2552 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 2 |
| Exact Mass | 176.1565 |
| Heavy Atoms | 13 |
| Complexity | 251.21187 |
Chemical Identifiers
| CAS Number | 74423-06-6 |
|---|---|
| SMILES | CC1=C(C(CCC1)(C)C)/C=C/C=C |
Product Overview
Megastigmatriene (CAS 74423-06-6), with molecular formula C13H20 and molecular weight 176.16 g/mol. IUPAC: 2-[(1E)-buta-1,3-dienyl]-1,3,3-trimethylcyclohexene.
Chemical Property Profile of Megastigmatriene
Property Insights of Megastigmatriene
The XLogP value of 4.2552 indicates that Megastigmatriene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, Megastigmatriene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Megastigmatriene 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 Megastigmatriene?
The CAS number of Megastigmatriene is 74423-06-6.
What is the molecular formula of Megastigmatriene?
The molecular formula of Megastigmatriene is C13H20.
What is the molecular weight of Megastigmatriene?
The molecular weight of Megastigmatriene is 176.16 g/mol.
Where can I buy Megastigmatriene?
You can request a quote for Megastigmatriene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Megastigmatriene?
Yes, KEHONG BIO provides custom synthesis services for Megastigmatriene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.