Diisotridecyl azelate
TL;DR: Diisotridecyl azelate (CAS 27251-77-0) is a chemical compound with molecular formula C35H68O4 and molecular weight 552.51 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
bis(11-methyldodecyl) nonanedioate
Also Known As: Diisotridecyl azelate, Di-isotridecylazelate, EINECS 248-366-2, bis(11-methyldodecyl) nonanedioate, Nonanedioic acid, diisotridecyl ester
| Molecular Formula | C35H68O4 |
|---|---|
| Molecular Weight | 552.51 g/mol |
| LogP | 13.9 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 32 |
| Exact Mass | 552.5118 |
| Heavy Atoms | 39 |
| Complexity | 483.0 |
Chemical Identifiers
| CAS Number | 27251-77-0 |
|---|---|
| SMILES | CC(C)CCCCCCCCCCOC(=O)CCCCCCCC(=O)OCCCCCCCCCCC(C)C |
| InChIKey | PNONOHHLPHOHQC-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Diisotridecyl azelate (CAS 27251-77-0), with molecular formula C35H68O4 and molecular weight 552.51 g/mol. IUPAC: bis(11-methyldodecyl) nonanedioate.
Chemical Property Profile of Diisotridecyl azelate
Property Insights of Diisotridecyl azelate
The XLogP value of 13.9 indicates that Diisotridecyl azelate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.6 Ų, Diisotridecyl azelate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Diisotridecyl azelate 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 Diisotridecyl azelate?
The CAS number of Diisotridecyl azelate is 27251-77-0.
What is the molecular formula of Diisotridecyl azelate?
The molecular formula of Diisotridecyl azelate is C35H68O4.
What is the molecular weight of Diisotridecyl azelate?
The molecular weight of Diisotridecyl azelate is 552.51 g/mol.
Where can I buy Diisotridecyl azelate?
You can request a quote for Diisotridecyl azelate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Diisotridecyl azelate?
Yes, KEHONG BIO provides custom synthesis services for Diisotridecyl azelate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.