Heptanoic acid, 2-furanylmethyl ester
TL;DR: Heptanoic acid, 2-furanylmethyl ester (CAS 39731-76-5) is a chemical compound with molecular formula C12H18O3 and molecular weight 210.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
furan-2-ylmethyl heptanoate
Also Known As: Furfuryl heptanoate, furan-2-ylmethyl heptanoate, 2-Furylmethyl heptanoate, FURFURYLHEPTANOATE, 2-Furanylmethyl heptanoate
| Molecular Formula | C12H18O3 |
|---|---|
| Molecular Weight | 210.13 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 39.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 8 |
| Exact Mass | 210.1256 |
| Heavy Atoms | 15 |
| Complexity | 180.0 |
Chemical Identifiers
| CAS Number | 39731-76-5 |
|---|---|
| SMILES | CCCCCCC(=O)OCC1=CC=CO1 |
| InChIKey | VZRGLBPRLIGTPE-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Heptanoic acid, 2-furanylmethyl ester (CAS 39731-76-5), with molecular formula C12H18O3 and molecular weight 210.13 g/mol. IUPAC: furan-2-ylmethyl heptanoate.
Chemical Property Profile of Heptanoic acid, 2-furanylmethyl ester
Property Insights of Heptanoic acid, 2-furanylmethyl ester
The XLogP value of 3.2 indicates that Heptanoic acid, 2-furanylmethyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 39.4 Ų, Heptanoic acid, 2-furanylmethyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Heptanoic acid, 2-furanylmethyl 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, 2-furanylmethyl ester?
The CAS number of Heptanoic acid, 2-furanylmethyl ester is 39731-76-5.
What is the molecular formula of Heptanoic acid, 2-furanylmethyl ester?
The molecular formula of Heptanoic acid, 2-furanylmethyl ester is C12H18O3.
What is the molecular weight of Heptanoic acid, 2-furanylmethyl ester?
The molecular weight of Heptanoic acid, 2-furanylmethyl ester is 210.13 g/mol.
Where can I buy Heptanoic acid, 2-furanylmethyl ester?
You can request a quote for Heptanoic acid, 2-furanylmethyl 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, 2-furanylmethyl ester?
Yes, KEHONG BIO provides custom synthesis services for Heptanoic acid, 2-furanylmethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.