戊二酸1,5-二异癸酯
TL;DR: 戊二酸1,5-二异癸酯 (CAS 29733-18-4) 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.
戊二酸1,5-二异癸酯
bis(8-methylnonyl) pentanedioate
Also Known As: Diisodecyl glutarate, bis(8-methylnonyl) pentanedioate, DIISODECYLGLUTARATE, 4-Chloro-3-fluoroaniline, Pentanedioic acid, diisodecyl ester
| Molecular Formula | C25H48O4 |
|---|---|
| Molecular Weight | 412.36 g/mol |
| LogP | 8.7 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 22 |
| Exact Mass | 412.35526 |
| Heavy Atoms | 29 |
| Complexity | 354.0 |
Chemical Identifiers
| CAS Number | 29733-18-4 |
|---|---|
| SMILES | CC(C)CCCCCCCOC(=O)CCCC(=O)OCCCCCCCC(C)C |
| InChIKey | NKTBVFBHWIMHRL-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 8 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
戊二酸1,5-二异癸酯 (CAS 29733-18-4), with molecular formula C25H48O4 and molecular weight 412.36 g/mol. IUPAC: bis(8-methylnonyl) pentanedioate.
Chemical Property Profile of 戊二酸1,5-二异癸酯
Property Insights of 戊二酸1,5-二异癸酯
The XLogP value of 8.7 indicates that 戊二酸1,5-二异癸酯 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.6 Ų, 戊二酸1,5-二异癸酯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 戊二酸1,5-二异癸酯 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 戊二酸1,5-二异癸酯?
The CAS number of 戊二酸1,5-二异癸酯 is 29733-18-4.
What is the molecular formula of 戊二酸1,5-二异癸酯?
The molecular formula of 戊二酸1,5-二异癸酯 is C25H48O4.
What is the molecular weight of 戊二酸1,5-二异癸酯?
The molecular weight of 戊二酸1,5-二异癸酯 is 412.36 g/mol.
Where can I buy 戊二酸1,5-二异癸酯?
You can request a quote for 戊二酸1,5-二异癸酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 戊二酸1,5-二异癸酯?
Yes, KEHONG BIO provides custom synthesis services for 戊二酸1,5-二异癸酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.