5-Methyl-2-pentylphenyl acetate
TL;DR: 5-Methyl-2-pentylphenyl acetate (CAS 6267-87-4) is a chemical compound with molecular formula C14H20O2 and molecular weight 220.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5-methyl-2-pentylphenyl) acetate
Also Known As: 5-methyl-2-pentylphenyl acetate, (5-methyl-2-pentylphenyl) acetate
| Molecular Formula | C14H20O2 |
|---|---|
| Molecular Weight | 220.15 g/mol |
| LogP | 4.5 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 6 |
| Exact Mass | 220.14633 |
| Heavy Atoms | 16 |
| Complexity | 213.0 |
Chemical Identifiers
| CAS Number | 6267-87-4 |
|---|---|
| SMILES | CCCCCC1=C(C=C(C=C1)C)OC(=O)C |
| InChIKey | OWINUZKAOVJNOB-UHFFFAOYSA-N |
Product Overview
5-Methyl-2-pentylphenyl acetate (CAS 6267-87-4), with molecular formula C14H20O2 and molecular weight 220.15 g/mol. IUPAC: (5-methyl-2-pentylphenyl) acetate.
Chemical Property Profile of 5-Methyl-2-pentylphenyl acetate
Property Insights of 5-Methyl-2-pentylphenyl acetate
The XLogP value of 4.5 indicates that 5-Methyl-2-pentylphenyl 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, 5-Methyl-2-pentylphenyl acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-Methyl-2-pentylphenyl 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 5-Methyl-2-pentylphenyl acetate?
The CAS number of 5-Methyl-2-pentylphenyl acetate is 6267-87-4.
What is the molecular formula of 5-Methyl-2-pentylphenyl acetate?
The molecular formula of 5-Methyl-2-pentylphenyl acetate is C14H20O2.
What is the molecular weight of 5-Methyl-2-pentylphenyl acetate?
The molecular weight of 5-Methyl-2-pentylphenyl acetate is 220.15 g/mol.
Where can I buy 5-Methyl-2-pentylphenyl acetate?
You can request a quote for 5-Methyl-2-pentylphenyl acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Methyl-2-pentylphenyl acetate?
Yes, KEHONG BIO provides custom synthesis services for 5-Methyl-2-pentylphenyl acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.