Bis(3,7-dimethyloctyl) oxalate
TL;DR: Bis(3,7-dimethyloctyl) oxalate (CAS 94134-44-8) is a chemical compound with molecular formula C22H42O4 and molecular weight 370.31 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
bis(3,7-dimethyloctyl) oxalate
Also Known As: Bis(3,7-dimethyloctyl) oxalate, EINECS 302-812-3, bis-(3,7-Dimethyloctyl) oxalate, Bis(3,7-dimethyloctyl) ethanedioate, Oxalic acid bis(3,7-dimethyloctyl) ester
| Molecular Formula | C22H42O4 |
|---|---|
| Molecular Weight | 370.31 g/mol |
| LogP | 5.7778 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 14 |
| Exact Mass | 370.30832 |
| Heavy Atoms | 26 |
| Complexity | 340.33853 |
Chemical Identifiers
| CAS Number | 94134-44-8 |
|---|---|
| SMILES | CC(C)CCCC(C)CCOC(=O)C(=O)OCCC(C)CCCC(C)C |
Product Overview
Bis(3,7-dimethyloctyl) oxalate (CAS 94134-44-8), with molecular formula C22H42O4 and molecular weight 370.31 g/mol. IUPAC: bis(3,7-dimethyloctyl) oxalate.
Chemical Property Profile of Bis(3,7-dimethyloctyl) oxalate
Property Insights of Bis(3,7-dimethyloctyl) oxalate
The XLogP value of 5.7778 indicates that Bis(3,7-dimethyloctyl) oxalate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.6 Ų, Bis(3,7-dimethyloctyl) oxalate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Bis(3,7-dimethyloctyl) oxalate 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 Bis(3,7-dimethyloctyl) oxalate?
The CAS number of Bis(3,7-dimethyloctyl) oxalate is 94134-44-8.
What is the molecular formula of Bis(3,7-dimethyloctyl) oxalate?
The molecular formula of Bis(3,7-dimethyloctyl) oxalate is C22H42O4.
What is the molecular weight of Bis(3,7-dimethyloctyl) oxalate?
The molecular weight of Bis(3,7-dimethyloctyl) oxalate is 370.31 g/mol.
Where can I buy Bis(3,7-dimethyloctyl) oxalate?
You can request a quote for Bis(3,7-dimethyloctyl) oxalate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Bis(3,7-dimethyloctyl) oxalate?
Yes, KEHONG BIO provides custom synthesis services for Bis(3,7-dimethyloctyl) oxalate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.