Isodecyl hydrogen adipate
TL;DR: Isodecyl hydrogen adipate (CAS 53595-56-5) is a chemical compound with molecular formula C16H30O4 and molecular weight 286.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-(8-methylnonoxy)-6-oxohexanoic acid
Also Known As: Isodecyl hydrogen adipate, isodecylhydrogenadipate, Hexanedioic acid, isodecyl ester, Hexanedioic acid,monoisodecyl ester (9CI), 6-(8-methylnonoxy)-6-oxohexanoic acid
| Molecular Formula | C16H30O4 |
|---|---|
| Molecular Weight | 286.21 g/mol |
| LogP | 4.5 |
| Topological Polar Surface Area | 63.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 14 |
| Exact Mass | 286.21442 |
| Heavy Atoms | 20 |
| Complexity | 261.0 |
Chemical Identifiers
| CAS Number | 53595-56-5 |
|---|---|
| SMILES | CC(C)CCCCCCCOC(=O)CCCCC(=O)O |
| InChIKey | IXSNSMTVBCIFOP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 9 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Isodecyl hydrogen adipate (CAS 53595-56-5), with molecular formula C16H30O4 and molecular weight 286.21 g/mol. IUPAC: 6-(8-methylnonoxy)-6-oxohexanoic acid.
Chemical Property Profile of Isodecyl hydrogen adipate
Property Insights of Isodecyl hydrogen adipate
The XLogP value of 4.5 indicates that Isodecyl hydrogen adipate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 63.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Isodecyl hydrogen adipate. Following Lipinski's Rule of Five, Isodecyl hydrogen adipate has 1 hydrogen bond donor(s) and 4 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 Isodecyl hydrogen adipate?
The CAS number of Isodecyl hydrogen adipate is 53595-56-5.
What is the molecular formula of Isodecyl hydrogen adipate?
The molecular formula of Isodecyl hydrogen adipate is C16H30O4.
What is the molecular weight of Isodecyl hydrogen adipate?
The molecular weight of Isodecyl hydrogen adipate is 286.21 g/mol.
Where can I buy Isodecyl hydrogen adipate?
You can request a quote for Isodecyl hydrogen adipate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Isodecyl hydrogen adipate?
Yes, KEHONG BIO provides custom synthesis services for Isodecyl hydrogen adipate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.