3-(p-Cumenyl)-1,3-dimethylbutyl acetate
TL;DR: 3-(p-Cumenyl)-1,3-dimethylbutyl acetate (CAS 85030-14-4) is a chemical compound with molecular formula C17H26O2 and molecular weight 262.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-methyl-4-(4-propan-2-ylphenyl)pentan-2-yl] acetate
Also Known As: 3-(p-Cumenyl)-1,3-dimethylbutyl acetate, 3-1,3-dimethylbutylacetate, EINECS 285-139-7, 3- -1,3-dimethylbutylacetate, [4-methyl-4-(4-propan-2-ylphenyl)pentan-2-yl] acetate
| Molecular Formula | C17H26O2 |
|---|---|
| Molecular Weight | 262.19 g/mol |
| LogP | 4.4293 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 262.19327 |
| Heavy Atoms | 19 |
| Complexity | 415.39313 |
Chemical Identifiers
| CAS Number | 85030-14-4 |
|---|---|
| SMILES | CC(C)C1=CC=C(C=C1)C(C)(C)CC(C)OC(=O)C |
Product Overview
3-(p-Cumenyl)-1,3-dimethylbutyl acetate (CAS 85030-14-4), with molecular formula C17H26O2 and molecular weight 262.19 g/mol. IUPAC: [4-methyl-4-(4-propan-2-ylphenyl)pentan-2-yl] acetate.
Chemical Property Profile of 3-(p-Cumenyl)-1,3-dimethylbutyl acetate
Property Insights of 3-(p-Cumenyl)-1,3-dimethylbutyl acetate
The XLogP value of 4.4293 indicates that 3-(p-Cumenyl)-1,3-dimethylbutyl 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, 3-(p-Cumenyl)-1,3-dimethylbutyl acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(p-Cumenyl)-1,3-dimethylbutyl 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 3-(p-Cumenyl)-1,3-dimethylbutyl acetate?
The CAS number of 3-(p-Cumenyl)-1,3-dimethylbutyl acetate is 85030-14-4.
What is the molecular formula of 3-(p-Cumenyl)-1,3-dimethylbutyl acetate?
The molecular formula of 3-(p-Cumenyl)-1,3-dimethylbutyl acetate is C17H26O2.
What is the molecular weight of 3-(p-Cumenyl)-1,3-dimethylbutyl acetate?
The molecular weight of 3-(p-Cumenyl)-1,3-dimethylbutyl acetate is 262.19 g/mol.
Where can I buy 3-(p-Cumenyl)-1,3-dimethylbutyl acetate?
You can request a quote for 3-(p-Cumenyl)-1,3-dimethylbutyl acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(p-Cumenyl)-1,3-dimethylbutyl acetate?
Yes, KEHONG BIO provides custom synthesis services for 3-(p-Cumenyl)-1,3-dimethylbutyl acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.