Butanedioic acid, 1,4-diisooctyl ester
TL;DR: Butanedioic acid, 1,4-diisooctyl ester (CAS 28880-24-2) is a chemical compound with molecular formula C20H38O4 and molecular weight 342.28 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
bis(6-methylheptyl) butanedioate
Also Known As: Diisooctyl succinate, bis(6-methylheptyl) butanedioate, Butanedioic acid, diisooctyl ester, Butanedioic acid, 1,4-diisooctyl ester, Butanedioic acid,1,4-diisooctyl ester
| Molecular Formula | C20H38O4 |
|---|---|
| Molecular Weight | 342.28 g/mol |
| LogP | 6.6 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 17 |
| Exact Mass | 342.277 |
| Heavy Atoms | 24 |
| Complexity | 292.0 |
Chemical Identifiers
| CAS Number | 28880-24-2 |
|---|---|
| SMILES | CC(C)CCCCCOC(=O)CCC(=O)OCCCCCC(C)C |
| InChIKey | MQKXWEJVDDRQKK-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 10 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Butanedioic acid, 1,4-diisooctyl ester (CAS 28880-24-2), with molecular formula C20H38O4 and molecular weight 342.28 g/mol. IUPAC: bis(6-methylheptyl) butanedioate.
Chemical Property Profile of Butanedioic acid, 1,4-diisooctyl ester
Property Insights of Butanedioic acid, 1,4-diisooctyl ester
The XLogP value of 6.6 indicates that Butanedioic 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, Butanedioic acid, 1,4-diisooctyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Butanedioic 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 Butanedioic acid, 1,4-diisooctyl ester?
The CAS number of Butanedioic acid, 1,4-diisooctyl ester is 28880-24-2.
What is the molecular formula of Butanedioic acid, 1,4-diisooctyl ester?
The molecular formula of Butanedioic acid, 1,4-diisooctyl ester is C20H38O4.
What is the molecular weight of Butanedioic acid, 1,4-diisooctyl ester?
The molecular weight of Butanedioic acid, 1,4-diisooctyl ester is 342.28 g/mol.
Where can I buy Butanedioic acid, 1,4-diisooctyl ester?
You can request a quote for Butanedioic 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 Butanedioic acid, 1,4-diisooctyl ester?
Yes, KEHONG BIO provides custom synthesis services for Butanedioic acid, 1,4-diisooctyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.