2-Methyl-4-(2,6,6-trimethylcyclohex-1-en-1-yl)but-3-enal
TL;DR: 2-Methyl-4-(2,6,6-trimethylcyclohex-1-en-1-yl)but-3-enal (CAS 32791-31-4) is a chemical compound with molecular formula C14H22O and molecular weight 206.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methyl-4-(2,6,6-trimethylcyclohexen-1-yl)but-3-enal
Also Known As: 2-Methyl-4-(2,6,6-trimethyl-1-cyclohexen-1-yl)-3-butenal, 2-methyl-4-(2,6,6-trimethylcyclohex-1-en-1-yl)but-3-enal, 3-Butenal, 2-methyl-4-(2,6,6-trimethyl-1-cyclohexen-1-yl)-, (E)-
| Molecular Formula | C14H22O |
|---|---|
| Molecular Weight | 206.17 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 206.16707 |
| Heavy Atoms | 15 |
| Complexity | 294.0 |
Chemical Identifiers
| CAS Number | 32791-31-4 |
|---|---|
| SMILES | CC1=C(C(CCC1)(C)C)C=CC(C)C=O |
| InChIKey | HVDGAAPQCCUWDO-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Methyl-4-(2,6,6-trimethylcyclohex-1-en-1-yl)but-3-enal (CAS 32791-31-4), with molecular formula C14H22O and molecular weight 206.17 g/mol. IUPAC: 2-methyl-4-(2,6,6-trimethylcyclohexen-1-yl)but-3-enal.
Chemical Property Profile of 2-Methyl-4-(2,6,6-trimethylcyclohex-1-en-1-yl)but-3-enal
Property Insights of 2-Methyl-4-(2,6,6-trimethylcyclohex-1-en-1-yl)but-3-enal
The XLogP value of 3.4 indicates that 2-Methyl-4-(2,6,6-trimethylcyclohex-1-en-1-yl)but-3-enal is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 17.1 Ų, 2-Methyl-4-(2,6,6-trimethylcyclohex-1-en-1-yl)but-3-enal exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Methyl-4-(2,6,6-trimethylcyclohex-1-en-1-yl)but-3-enal has 0 hydrogen bond donor(s) and 1 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-Methyl-4-(2,6,6-trimethylcyclohex-1-en-1-yl)but-3-enal?
The CAS number of 2-Methyl-4-(2,6,6-trimethylcyclohex-1-en-1-yl)but-3-enal is 32791-31-4.
What is the molecular formula of 2-Methyl-4-(2,6,6-trimethylcyclohex-1-en-1-yl)but-3-enal?
The molecular formula of 2-Methyl-4-(2,6,6-trimethylcyclohex-1-en-1-yl)but-3-enal is C14H22O.
What is the molecular weight of 2-Methyl-4-(2,6,6-trimethylcyclohex-1-en-1-yl)but-3-enal?
The molecular weight of 2-Methyl-4-(2,6,6-trimethylcyclohex-1-en-1-yl)but-3-enal is 206.17 g/mol.
Where can I buy 2-Methyl-4-(2,6,6-trimethylcyclohex-1-en-1-yl)but-3-enal?
You can request a quote for 2-Methyl-4-(2,6,6-trimethylcyclohex-1-en-1-yl)but-3-enal directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Methyl-4-(2,6,6-trimethylcyclohex-1-en-1-yl)but-3-enal?
Yes, KEHONG BIO provides custom synthesis services for 2-Methyl-4-(2,6,6-trimethylcyclohex-1-en-1-yl)but-3-enal and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.