Nonanedioic acid, bis(2,2,4-trimethylpentyl) ester
TL;DR: Nonanedioic acid, bis(2,2,4-trimethylpentyl) ester (CAS 1931-83-5) is a chemical compound with molecular formula C25H48O4 and molecular weight 412.36 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
bis(2,2,4-trimethylpentyl) nonanedioate
Also Known As: bis(2,2,4-trimethylpentyl) nonanedioate, Nonanedioic acid, bis(2,2,4-trimethylpentyl) ester, Azelaic acid, bis(2,2,4-trimethyl pentyl) ester
| Molecular Formula | C25H48O4 |
|---|---|
| Molecular Weight | 412.36 g/mol |
| LogP | 8.0 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 18 |
| Exact Mass | 412.35526 |
| Heavy Atoms | 29 |
| Complexity | 421.0 |
Chemical Identifiers
| CAS Number | 1931-83-5 |
|---|---|
| SMILES | CC(C)CC(C)(C)COC(=O)CCCCCCCC(=O)OCC(C)(C)CC(C)C |
| InChIKey | RCVKOPJDEMAVNV-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Nonanedioic acid, bis(2,2,4-trimethylpentyl) ester (CAS 1931-83-5), with molecular formula C25H48O4 and molecular weight 412.36 g/mol. IUPAC: bis(2,2,4-trimethylpentyl) nonanedioate.
Chemical Property Profile of Nonanedioic acid, bis(2,2,4-trimethylpentyl) ester
Property Insights of Nonanedioic acid, bis(2,2,4-trimethylpentyl) ester
The XLogP value of 8.0 indicates that Nonanedioic acid, bis(2,2,4-trimethylpentyl) 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, Nonanedioic acid, bis(2,2,4-trimethylpentyl) ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Nonanedioic acid, bis(2,2,4-trimethylpentyl) 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 Nonanedioic acid, bis(2,2,4-trimethylpentyl) ester?
The CAS number of Nonanedioic acid, bis(2,2,4-trimethylpentyl) ester is 1931-83-5.
What is the molecular formula of Nonanedioic acid, bis(2,2,4-trimethylpentyl) ester?
The molecular formula of Nonanedioic acid, bis(2,2,4-trimethylpentyl) ester is C25H48O4.
What is the molecular weight of Nonanedioic acid, bis(2,2,4-trimethylpentyl) ester?
The molecular weight of Nonanedioic acid, bis(2,2,4-trimethylpentyl) ester is 412.36 g/mol.
Where can I buy Nonanedioic acid, bis(2,2,4-trimethylpentyl) ester?
You can request a quote for Nonanedioic acid, bis(2,2,4-trimethylpentyl) ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Nonanedioic acid, bis(2,2,4-trimethylpentyl) ester?
Yes, KEHONG BIO provides custom synthesis services for Nonanedioic acid, bis(2,2,4-trimethylpentyl) ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.