Heptanoic acid, ester with 2-ethyl-2-(hydroxymethyl)-1,3-propanediol pentanoate
TL;DR: Heptanoic acid, ester with 2-ethyl-2-(hydroxymethyl)-1,3-propanediol pentanoate (CAS 67762-64-5) is a chemical compound with molecular formula C18H34O5 and molecular weight 330.24 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-(hydroxymethyl)-2-(pentanoyloxymethyl)butyl] heptanoate
Also Known As: Trimethylolpropane valerate heptanoate, EC 267-029-0, Heptanoic acid, valeric acid, trimethylolpropane ester, Trimethylolpropane, valeric acid, heptanoic acid mixed esters, 2-(hydroxymethyl)-2-[(pentanoyloxy)methyl]butyl heptanoate
| Molecular Formula | C18H34O5 |
|---|---|
| Molecular Weight | 330.24 g/mol |
| LogP | 4.2 |
| Topological Polar Surface Area | 72.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 16 |
| Exact Mass | 330.24063 |
| Heavy Atoms | 23 |
| Complexity | 329.0 |
Chemical Identifiers
| CAS Number | 67762-64-5 |
|---|---|
| SMILES | CCCCCCC(=O)OCC(CC)(CO)COC(=O)CCCC |
| InChIKey | CIPBJDPIFXKOLJ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Heptanoic acid, ester with 2-ethyl-2-(hydroxymethyl)-1,3-propanediol pentanoate (CAS 67762-64-5), with molecular formula C18H34O5 and molecular weight 330.24 g/mol. IUPAC: [2-(hydroxymethyl)-2-(pentanoyloxymethyl)butyl] heptanoate.
Chemical Property Profile of Heptanoic acid, ester with 2-ethyl-2-(hydroxymethyl)-1,3-propanediol pentanoate
Property Insights of Heptanoic acid, ester with 2-ethyl-2-(hydroxymethyl)-1,3-propanediol pentanoate
The XLogP value of 4.2 indicates that Heptanoic acid, ester with 2-ethyl-2-(hydroxymethyl)-1,3-propanediol pentanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 72.8 Ų falls within the moderate polarity range, balancing permeability and solubility for Heptanoic acid, ester with 2-ethyl-2-(hydroxymethyl)-1,3-propanediol pentanoate. Following Lipinski's Rule of Five, Heptanoic acid, ester with 2-ethyl-2-(hydroxymethyl)-1,3-propanediol pentanoate has 1 hydrogen bond donor(s) and 5 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, ester with 2-ethyl-2-(hydroxymethyl)-1,3-propanediol pentanoate?
The CAS number of Heptanoic acid, ester with 2-ethyl-2-(hydroxymethyl)-1,3-propanediol pentanoate is 67762-64-5.
What is the molecular formula of Heptanoic acid, ester with 2-ethyl-2-(hydroxymethyl)-1,3-propanediol pentanoate?
The molecular formula of Heptanoic acid, ester with 2-ethyl-2-(hydroxymethyl)-1,3-propanediol pentanoate is C18H34O5.
What is the molecular weight of Heptanoic acid, ester with 2-ethyl-2-(hydroxymethyl)-1,3-propanediol pentanoate?
The molecular weight of Heptanoic acid, ester with 2-ethyl-2-(hydroxymethyl)-1,3-propanediol pentanoate is 330.24 g/mol.
Where can I buy Heptanoic acid, ester with 2-ethyl-2-(hydroxymethyl)-1,3-propanediol pentanoate?
You can request a quote for Heptanoic acid, ester with 2-ethyl-2-(hydroxymethyl)-1,3-propanediol pentanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Heptanoic acid, ester with 2-ethyl-2-(hydroxymethyl)-1,3-propanediol pentanoate?
Yes, KEHONG BIO provides custom synthesis services for Heptanoic acid, ester with 2-ethyl-2-(hydroxymethyl)-1,3-propanediol pentanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.