Methyl 7-(2-pentylphenyl)heptanoate
TL;DR: Methyl 7-(2-pentylphenyl)heptanoate (CAS 13397-97-2) is a chemical compound with molecular formula C19H30O2 and molecular weight 290.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 7-(2-pentylphenyl)heptanoate
Also Known As: Methyl 7-(2-pentylphenyl)heptanoate, 7-(o-Pentylphenyl)heptanoic acid methyl ester, methyl 7-(2'-pentyl-phenyl)heptanoate, Methyl 7-(2-pentylphenyl)heptanoate #, Heptanoic acid, 7-(o-pentylphenyl)-, methyl ester
| Molecular Formula | C19H30O2 |
|---|---|
| Molecular Weight | 290.22 g/mol |
| LogP | 6.4 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 12 |
| Exact Mass | 290.22458 |
| Heavy Atoms | 21 |
| Complexity | 262.0 |
Chemical Identifiers
| CAS Number | 13397-97-2 |
|---|---|
| SMILES | CCCCCC1=CC=CC=C1CCCCCCC(=O)OC |
| InChIKey | APKFDCCNVOZJQJ-UHFFFAOYSA-N |
Product Overview
Methyl 7-(2-pentylphenyl)heptanoate (CAS 13397-97-2), with molecular formula C19H30O2 and molecular weight 290.22 g/mol. IUPAC: methyl 7-(2-pentylphenyl)heptanoate.
Chemical Property Profile of Methyl 7-(2-pentylphenyl)heptanoate
Property Insights of Methyl 7-(2-pentylphenyl)heptanoate
The XLogP value of 6.4 indicates that Methyl 7-(2-pentylphenyl)heptanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, Methyl 7-(2-pentylphenyl)heptanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 7-(2-pentylphenyl)heptanoate has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Methyl 7-(2-pentylphenyl)heptanoate?
The CAS number of Methyl 7-(2-pentylphenyl)heptanoate is 13397-97-2.
What is the molecular formula of Methyl 7-(2-pentylphenyl)heptanoate?
The molecular formula of Methyl 7-(2-pentylphenyl)heptanoate is C19H30O2.
What is the molecular weight of Methyl 7-(2-pentylphenyl)heptanoate?
The molecular weight of Methyl 7-(2-pentylphenyl)heptanoate is 290.22 g/mol.
Where can I buy Methyl 7-(2-pentylphenyl)heptanoate?
You can request a quote for Methyl 7-(2-pentylphenyl)heptanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 7-(2-pentylphenyl)heptanoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 7-(2-pentylphenyl)heptanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.