Furan-2-carboxylic acid heptyl ester
TL;DR: Furan-2-carboxylic acid heptyl ester (CAS 39251-87-1) 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.
heptyl furan-2-carboxylate
Also Known As: Heptyl 2-furoate, heptyl furan-2-carboxylate, Heptyl 2-furoate #, Heptyl 2-furancarboxylate, furan-2-carboxylic acid heptyl ester
| Molecular Formula | C12H18O3 |
|---|---|
| Molecular Weight | 210.13 g/mol |
| LogP | 4.0 |
| 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 | 39251-87-1 |
|---|---|
| SMILES | CCCCCCCOC(=O)C1=CC=CO1 |
| InChIKey | ILSZSJQYHGISIK-UHFFFAOYSA-N |
Product Overview
Furan-2-carboxylic acid heptyl ester (CAS 39251-87-1), with molecular formula C12H18O3 and molecular weight 210.13 g/mol. IUPAC: heptyl furan-2-carboxylate.
Chemical Property Profile of Furan-2-carboxylic acid heptyl ester
Property Insights of Furan-2-carboxylic acid heptyl ester
The XLogP value of 4.0 indicates that Furan-2-carboxylic acid heptyl 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, Furan-2-carboxylic acid heptyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Furan-2-carboxylic acid heptyl 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 Furan-2-carboxylic acid heptyl ester?
The CAS number of Furan-2-carboxylic acid heptyl ester is 39251-87-1.
What is the molecular formula of Furan-2-carboxylic acid heptyl ester?
The molecular formula of Furan-2-carboxylic acid heptyl ester is C12H18O3.
What is the molecular weight of Furan-2-carboxylic acid heptyl ester?
The molecular weight of Furan-2-carboxylic acid heptyl ester is 210.13 g/mol.
Where can I buy Furan-2-carboxylic acid heptyl ester?
You can request a quote for Furan-2-carboxylic acid heptyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Furan-2-carboxylic acid heptyl ester?
Yes, KEHONG BIO provides custom synthesis services for Furan-2-carboxylic acid heptyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.