Methyl 7-(2-pentylcyclohexyl)heptanoate
TL;DR: Methyl 7-(2-pentylcyclohexyl)heptanoate (CAS 16847-10-2) is a chemical compound with molecular formula C19H36O2 and molecular weight 296.27 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 7-(2-pentylcyclohexyl)heptanoate
Also Known As: Methyl 7-(2-pentylcyclohexyl)heptanoate, methyl 2-pentylcyclohexane-1-carboxylate, Cyclohexaneheptanoic acid, 2-pentyl-, methyl ester, methyl 7-(2'-pentylcyclohexyl)-heptanoate, Methyl 7-(2-pentylcyclohexyl)heptanoate #
| Molecular Formula | C19H36O2 |
|---|---|
| Molecular Weight | 296.27 g/mol |
| LogP | 7.7 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 12 |
| Exact Mass | 296.27155 |
| Heavy Atoms | 21 |
| Complexity | 262.0 |
Chemical Identifiers
| CAS Number | 16847-10-2 |
|---|---|
| SMILES | CCCCCC1CCCCC1CCCCCCC(=O)OC |
| InChIKey | ZOSQNEXXAVNWJH-UHFFFAOYSA-N |
Product Overview
Methyl 7-(2-pentylcyclohexyl)heptanoate (CAS 16847-10-2), with molecular formula C19H36O2 and molecular weight 296.27 g/mol. IUPAC: methyl 7-(2-pentylcyclohexyl)heptanoate.
Chemical Property Profile of Methyl 7-(2-pentylcyclohexyl)heptanoate
Property Insights of Methyl 7-(2-pentylcyclohexyl)heptanoate
The XLogP value of 7.7 indicates that Methyl 7-(2-pentylcyclohexyl)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-pentylcyclohexyl)heptanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 7-(2-pentylcyclohexyl)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-pentylcyclohexyl)heptanoate?
The CAS number of Methyl 7-(2-pentylcyclohexyl)heptanoate is 16847-10-2.
What is the molecular formula of Methyl 7-(2-pentylcyclohexyl)heptanoate?
The molecular formula of Methyl 7-(2-pentylcyclohexyl)heptanoate is C19H36O2.
What is the molecular weight of Methyl 7-(2-pentylcyclohexyl)heptanoate?
The molecular weight of Methyl 7-(2-pentylcyclohexyl)heptanoate is 296.27 g/mol.
Where can I buy Methyl 7-(2-pentylcyclohexyl)heptanoate?
You can request a quote for Methyl 7-(2-pentylcyclohexyl)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-pentylcyclohexyl)heptanoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 7-(2-pentylcyclohexyl)heptanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.