Hexanedioic acid, hexyl octyl ester
TL;DR: Hexanedioic acid, hexyl octyl ester (CAS 65185-85-5) is a chemical compound with molecular formula C20H38O4 and molecular weight 342.28 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-O-hexyl 6-O-octyl hexanedioate
Also Known As: hexyl octyl adipate, hexyl octyl hexanedioate, Hexanedioic acid, hexyl octyl ester, Adipic acid, hexyl octyl ester, 1-O-hexyl 6-O-octyl hexanedioate
| Molecular Formula | C20H38O4 |
|---|---|
| Molecular Weight | 342.28 g/mol |
| LogP | 6.3 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 19 |
| Exact Mass | 342.277 |
| Heavy Atoms | 24 |
| Complexity | 302.0 |
Chemical Identifiers
| CAS Number | 65185-85-5 |
|---|---|
| SMILES | CCCCCCCCOC(=O)CCCCC(=O)OCCCCCC |
| InChIKey | XRJCABJFBJQLIS-UHFFFAOYSA-N |
Product Overview
Hexanedioic acid, hexyl octyl ester (CAS 65185-85-5), with molecular formula C20H38O4 and molecular weight 342.28 g/mol. IUPAC: 1-O-hexyl 6-O-octyl hexanedioate.
Chemical Property Profile of Hexanedioic acid, hexyl octyl ester
Property Insights of Hexanedioic acid, hexyl octyl ester
The XLogP value of 6.3 indicates that Hexanedioic acid, hexyl octyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.6 Ų, Hexanedioic acid, hexyl octyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Hexanedioic acid, hexyl octyl ester has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Hexanedioic acid, hexyl octyl ester?
The CAS number of Hexanedioic acid, hexyl octyl ester is 65185-85-5.
What is the molecular formula of Hexanedioic acid, hexyl octyl ester?
The molecular formula of Hexanedioic acid, hexyl octyl ester is C20H38O4.
What is the molecular weight of Hexanedioic acid, hexyl octyl ester?
The molecular weight of Hexanedioic acid, hexyl octyl ester is 342.28 g/mol.
Where can I buy Hexanedioic acid, hexyl octyl ester?
You can request a quote for Hexanedioic acid, hexyl octyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Hexanedioic acid, hexyl octyl ester?
Yes, KEHONG BIO provides custom synthesis services for Hexanedioic acid, hexyl octyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.