2-Isopropyl-5-methylphenyl hexanoate
TL;DR: 2-Isopropyl-5-methylphenyl hexanoate (CAS 667885-71-4) is a chemical compound with molecular formula C16H24O2 and molecular weight 248.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5-methyl-2-propan-2-ylphenyl) hexanoate
Also Known As: 2-isopropyl-5-methylphenyl hexanoate, 5-Methyl-2-(1-methylethyl)phenyl hexanoate, (5-methyl-2-propan-2-ylphenyl) hexanoate, AO-548/40890783
| Molecular Formula | C16H24O2 |
|---|---|
| Molecular Weight | 248.18 g/mol |
| LogP | 4.60412 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 6 |
| Exact Mass | 248.17763 |
| Heavy Atoms | 18 |
| Complexity | 394.08347 |
Chemical Identifiers
| CAS Number | 667885-71-4 |
|---|---|
| SMILES | CCCCCC(=O)OC1=C(C=CC(=C1)C)C(C)C |
Product Overview
2-Isopropyl-5-methylphenyl hexanoate (CAS 667885-71-4), with molecular formula C16H24O2 and molecular weight 248.18 g/mol. IUPAC: (5-methyl-2-propan-2-ylphenyl) hexanoate.
Chemical Property Profile of 2-Isopropyl-5-methylphenyl hexanoate
Property Insights of 2-Isopropyl-5-methylphenyl hexanoate
The XLogP value of 4.60412 indicates that 2-Isopropyl-5-methylphenyl hexanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, 2-Isopropyl-5-methylphenyl hexanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Isopropyl-5-methylphenyl hexanoate 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 2-Isopropyl-5-methylphenyl hexanoate?
The CAS number of 2-Isopropyl-5-methylphenyl hexanoate is 667885-71-4.
What is the molecular formula of 2-Isopropyl-5-methylphenyl hexanoate?
The molecular formula of 2-Isopropyl-5-methylphenyl hexanoate is C16H24O2.
What is the molecular weight of 2-Isopropyl-5-methylphenyl hexanoate?
The molecular weight of 2-Isopropyl-5-methylphenyl hexanoate is 248.18 g/mol.
Where can I buy 2-Isopropyl-5-methylphenyl hexanoate?
You can request a quote for 2-Isopropyl-5-methylphenyl hexanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Isopropyl-5-methylphenyl hexanoate?
Yes, KEHONG BIO provides custom synthesis services for 2-Isopropyl-5-methylphenyl hexanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.