Oxalic acid, decyl isohexyl ester
TL;DR: Oxalic acid, decyl isohexyl ester (CAS 959017-87-9) is a chemical compound with molecular formula C18H34O4 and molecular weight 314.25 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-O-decyl 2-O-(4-methylpentyl) oxalate
Also Known As: Oxalic acid, decyl isohexyl ester, Decyl 4-methylpentyl ethanedioate, 1-O-decyl 2-O-(4-methylpentyl) oxalate, RefChem:367086
| Molecular Formula | C18H34O4 |
|---|---|
| Molecular Weight | 314.25 g/mol |
| LogP | 4.6497 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 13 |
| Exact Mass | 314.2457 |
| Heavy Atoms | 22 |
| Complexity | 286.81174 |
Chemical Identifiers
| CAS Number | 959017-87-9 |
|---|---|
| SMILES | CCCCCCCCCCOC(=O)C(=O)OCCCC(C)C |
Product Overview
Oxalic acid, decyl isohexyl ester (CAS 959017-87-9), with molecular formula C18H34O4 and molecular weight 314.25 g/mol. IUPAC: 1-O-decyl 2-O-(4-methylpentyl) oxalate.
Chemical Property Profile of Oxalic acid, decyl isohexyl ester
Property Insights of Oxalic acid, decyl isohexyl ester
The XLogP value of 4.6497 indicates that Oxalic acid, decyl isohexyl 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, Oxalic acid, decyl isohexyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Oxalic acid, decyl isohexyl ester has 0 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 Oxalic acid, decyl isohexyl ester?
The CAS number of Oxalic acid, decyl isohexyl ester is 959017-87-9.
What is the molecular formula of Oxalic acid, decyl isohexyl ester?
The molecular formula of Oxalic acid, decyl isohexyl ester is C18H34O4.
What is the molecular weight of Oxalic acid, decyl isohexyl ester?
The molecular weight of Oxalic acid, decyl isohexyl ester is 314.25 g/mol.
Where can I buy Oxalic acid, decyl isohexyl ester?
You can request a quote for Oxalic acid, decyl isohexyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Oxalic acid, decyl isohexyl ester?
Yes, KEHONG BIO provides custom synthesis services for Oxalic acid, decyl isohexyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.