4-(4-Methylpenten-3-yl)cyclohex-3-ene-1-methyl acetate
TL;DR: 4-(4-Methylpenten-3-yl)cyclohex-3-ene-1-methyl acetate (CAS 53889-39-7) is a chemical compound with molecular formula C15H24O2 and molecular weight 236.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-(4-methylpent-3-enyl)cyclohex-3-en-1-yl]methyl acetate
Also Known As: 4-(4-Methylpenten-3-yl)cyclohex-3-ene-1-methyl acetate, 4- cyclohex-3-ene-1-methylacetate, [4-(4-methylpent-3-enyl)cyclohex-3-en-1-yl]methyl acetate, 4-(4-Methyl-3-pentenyl)-3-cyclohexen-1-ylmethyl acetate, [4-(4-methylpent-3-en-1-yl)cyclohex-3-en-1-yl]methyl acetate
| Molecular Formula | C15H24O2 |
|---|---|
| Molecular Weight | 236.18 g/mol |
| LogP | 3.7 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 6 |
| Exact Mass | 236.17763 |
| Heavy Atoms | 17 |
| Complexity | 309.0 |
Chemical Identifiers
| CAS Number | 53889-39-7 |
|---|---|
| SMILES | CC(=CCCC1=CCC(CC1)COC(=O)C)C |
| InChIKey | HTQLNWONIAXQKC-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-(4-Methylpenten-3-yl)cyclohex-3-ene-1-methyl acetate (CAS 53889-39-7), with molecular formula C15H24O2 and molecular weight 236.18 g/mol. IUPAC: [4-(4-methylpent-3-enyl)cyclohex-3-en-1-yl]methyl acetate.
Chemical Property Profile of 4-(4-Methylpenten-3-yl)cyclohex-3-ene-1-methyl acetate
Property Insights of 4-(4-Methylpenten-3-yl)cyclohex-3-ene-1-methyl acetate
The XLogP value of 3.7 indicates that 4-(4-Methylpenten-3-yl)cyclohex-3-ene-1-methyl acetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, 4-(4-Methylpenten-3-yl)cyclohex-3-ene-1-methyl acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(4-Methylpenten-3-yl)cyclohex-3-ene-1-methyl acetate has 0 hydrogen bond donor(s) and 2 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 4-(4-Methylpenten-3-yl)cyclohex-3-ene-1-methyl acetate?
The CAS number of 4-(4-Methylpenten-3-yl)cyclohex-3-ene-1-methyl acetate is 53889-39-7.
What is the molecular formula of 4-(4-Methylpenten-3-yl)cyclohex-3-ene-1-methyl acetate?
The molecular formula of 4-(4-Methylpenten-3-yl)cyclohex-3-ene-1-methyl acetate is C15H24O2.
What is the molecular weight of 4-(4-Methylpenten-3-yl)cyclohex-3-ene-1-methyl acetate?
The molecular weight of 4-(4-Methylpenten-3-yl)cyclohex-3-ene-1-methyl acetate is 236.18 g/mol.
Where can I buy 4-(4-Methylpenten-3-yl)cyclohex-3-ene-1-methyl acetate?
You can request a quote for 4-(4-Methylpenten-3-yl)cyclohex-3-ene-1-methyl acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(4-Methylpenten-3-yl)cyclohex-3-ene-1-methyl acetate?
Yes, KEHONG BIO provides custom synthesis services for 4-(4-Methylpenten-3-yl)cyclohex-3-ene-1-methyl acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.