Pentanedioic acid, 1,4-diisooctyl ester
TL;DR: Pentanedioic acid, 1,4-diisooctyl ester (CAS 28880-25-3) is a chemical compound with molecular formula C21H40O4 and molecular weight 356.29 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
bis(6-methylheptyl) pentanedioate
Also Known As: Diisooctyl glutarate, diisooctylglutarate, Pentanedioic acid, diisooctyl ester, bis(6-methylheptyl) pentanedioate, Glutaric acid, diisooctyl ester
| Molecular Formula | C21H40O4 |
|---|---|
| Molecular Weight | 356.29 g/mol |
| LogP | 6.5 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 18 |
| Exact Mass | 356.29266 |
| Heavy Atoms | 25 |
| Complexity | 305.0 |
Chemical Identifiers
| CAS Number | 28880-25-3 |
|---|---|
| SMILES | CC(C)CCCCCOC(=O)CCCC(=O)OCCCCCC(C)C |
| InChIKey | SFNLXSGWZBPIIX-UHFFFAOYSA-N |
Product Overview
Pentanedioic acid, 1,4-diisooctyl ester (CAS 28880-25-3), with molecular formula C21H40O4 and molecular weight 356.29 g/mol. IUPAC: bis(6-methylheptyl) pentanedioate.
Chemical Property Profile of Pentanedioic acid, 1,4-diisooctyl ester
Property Insights of Pentanedioic acid, 1,4-diisooctyl ester
The XLogP value of 6.5 indicates that Pentanedioic acid, 1,4-diisooctyl 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, Pentanedioic acid, 1,4-diisooctyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Pentanedioic acid, 1,4-diisooctyl 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 Pentanedioic acid, 1,4-diisooctyl ester?
The CAS number of Pentanedioic acid, 1,4-diisooctyl ester is 28880-25-3.
What is the molecular formula of Pentanedioic acid, 1,4-diisooctyl ester?
The molecular formula of Pentanedioic acid, 1,4-diisooctyl ester is C21H40O4.
What is the molecular weight of Pentanedioic acid, 1,4-diisooctyl ester?
The molecular weight of Pentanedioic acid, 1,4-diisooctyl ester is 356.29 g/mol.
Where can I buy Pentanedioic acid, 1,4-diisooctyl ester?
You can request a quote for Pentanedioic acid, 1,4-diisooctyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Pentanedioic acid, 1,4-diisooctyl ester?
Yes, KEHONG BIO provides custom synthesis services for Pentanedioic acid, 1,4-diisooctyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.