Heptanoic acid, ester with 2,2,4-trimethyl-1,3-pentanediol
TL;DR: Heptanoic acid, ester with 2,2,4-trimethyl-1,3-pentanediol (CAS 71839-38-8) is a chemical compound with molecular formula C15H32O3 and molecular weight 260.24 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3R)-1-[(1S)-1-hydroxyheptoxy]-2,2,4-trimethylpentan-3-ol
Also Known As: 2,2,4-Trimethyl-1,3-pentanediol heptanoate, (3R)-1-[(1S)-1-hydroxyheptoxy]-2,2,4-trimethylpentan-3-ol, Heptanoic acid, ester with 2,2,4-trimethyl-1,3-pentanediol
| Molecular Formula | C15H32O3 |
|---|---|
| Molecular Weight | 260.24 g/mol |
| LogP | 3.3349 |
| Topological Polar Surface Area | 49.69 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 10 |
| Exact Mass | 260.23514 |
| Heavy Atoms | 18 |
| Complexity | 201.91539 |
Chemical Identifiers
| CAS Number | 71839-38-8 |
|---|---|
| SMILES | CCCCCC[C@@H](O)OCC(C)(C)[C@@H](C(C)C)O |
Product Overview
Heptanoic acid, ester with 2,2,4-trimethyl-1,3-pentanediol (CAS 71839-38-8), with molecular formula C15H32O3 and molecular weight 260.24 g/mol. IUPAC: (3R)-1-[(1S)-1-hydroxyheptoxy]-2,2,4-trimethylpentan-3-ol.
Chemical Property Profile of Heptanoic acid, ester with 2,2,4-trimethyl-1,3-pentanediol
Property Insights of Heptanoic acid, ester with 2,2,4-trimethyl-1,3-pentanediol
The XLogP value of 3.3349 indicates that Heptanoic acid, ester with 2,2,4-trimethyl-1,3-pentanediol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 49.69 Ų, Heptanoic acid, ester with 2,2,4-trimethyl-1,3-pentanediol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Heptanoic acid, ester with 2,2,4-trimethyl-1,3-pentanediol has 2 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, ester with 2,2,4-trimethyl-1,3-pentanediol?
The CAS number of Heptanoic acid, ester with 2,2,4-trimethyl-1,3-pentanediol is 71839-38-8.
What is the molecular formula of Heptanoic acid, ester with 2,2,4-trimethyl-1,3-pentanediol?
The molecular formula of Heptanoic acid, ester with 2,2,4-trimethyl-1,3-pentanediol is C15H32O3.
What is the molecular weight of Heptanoic acid, ester with 2,2,4-trimethyl-1,3-pentanediol?
The molecular weight of Heptanoic acid, ester with 2,2,4-trimethyl-1,3-pentanediol is 260.24 g/mol.
Where can I buy Heptanoic acid, ester with 2,2,4-trimethyl-1,3-pentanediol?
You can request a quote for Heptanoic acid, ester with 2,2,4-trimethyl-1,3-pentanediol 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 2,2,4-trimethyl-1,3-pentanediol?
Yes, KEHONG BIO provides custom synthesis services for Heptanoic acid, ester with 2,2,4-trimethyl-1,3-pentanediol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.