Heptanoic acid, 3-methoxyphenyl ester
TL;DR: Heptanoic acid, 3-methoxyphenyl ester (CAS 56052-16-5) is a chemical compound with molecular formula C14H20O3 and molecular weight 236.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3-methoxyphenyl) heptanoate
Also Known As: 3-Methoxyphenyl heptanoate, (3-methoxyphenyl) heptanoate, 3-Methoxyphenyl heptanoate #, Heptanoic acid 3-methoxyphenyl ester, Heptanoic acid, 3-methoxyphenyl ester
| Molecular Formula | C14H20O3 |
|---|---|
| Molecular Weight | 236.14 g/mol |
| LogP | 4.1 |
| Topological Polar Surface Area | 35.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 8 |
| Exact Mass | 236.14125 |
| Heavy Atoms | 17 |
| Complexity | 216.0 |
Chemical Identifiers
| CAS Number | 56052-16-5 |
|---|---|
| SMILES | CCCCCCC(=O)OC1=CC=CC(=C1)OC |
| InChIKey | KNKGMJJDUCXMPY-UHFFFAOYSA-N |
Product Overview
Heptanoic acid, 3-methoxyphenyl ester (CAS 56052-16-5), with molecular formula C14H20O3 and molecular weight 236.14 g/mol. IUPAC: (3-methoxyphenyl) heptanoate.
Chemical Property Profile of Heptanoic acid, 3-methoxyphenyl ester
Property Insights of Heptanoic acid, 3-methoxyphenyl ester
The XLogP value of 4.1 indicates that Heptanoic acid, 3-methoxyphenyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 35.5 Ų, Heptanoic acid, 3-methoxyphenyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Heptanoic acid, 3-methoxyphenyl ester has 0 hydrogen bond donor(s) and 3 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 Heptanoic acid, 3-methoxyphenyl ester?
The CAS number of Heptanoic acid, 3-methoxyphenyl ester is 56052-16-5.
What is the molecular formula of Heptanoic acid, 3-methoxyphenyl ester?
The molecular formula of Heptanoic acid, 3-methoxyphenyl ester is C14H20O3.
What is the molecular weight of Heptanoic acid, 3-methoxyphenyl ester?
The molecular weight of Heptanoic acid, 3-methoxyphenyl ester is 236.14 g/mol.
Where can I buy Heptanoic acid, 3-methoxyphenyl ester?
You can request a quote for Heptanoic acid, 3-methoxyphenyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Heptanoic acid, 3-methoxyphenyl ester?
Yes, KEHONG BIO provides custom synthesis services for Heptanoic acid, 3-methoxyphenyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.