Butanedioic acid, 1-dodecyl 4-octyl ester
TL;DR: Butanedioic acid, 1-dodecyl 4-octyl ester (CAS 6289-57-2) is a chemical compound with molecular formula C24H46O4 and molecular weight 398.34 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-O-dodecyl 1-O-octyl butanedioate
Also Known As: Dodecyl Octyl Butanedioate, 4-O-dodecyl 1-O-octyl butanedioate, Butanedioic acid, 1-dodecyl 4-octyl ester, Succinic acid, dodecyl octyl ester, RefChem:330568
| Molecular Formula | C24H46O4 |
|---|---|
| Molecular Weight | 398.34 g/mol |
| LogP | 8.9 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 23 |
| Exact Mass | 398.3396 |
| Heavy Atoms | 28 |
| Complexity | 355.0 |
Chemical Identifiers
| CAS Number | 6289-57-2 |
|---|---|
| SMILES | CCCCCCCCCCCCOC(=O)CCC(=O)OCCCCCCCC |
| InChIKey | XCRQXLLGJQJPRR-UHFFFAOYSA-N |
Product Overview
Butanedioic acid, 1-dodecyl 4-octyl ester (CAS 6289-57-2), with molecular formula C24H46O4 and molecular weight 398.34 g/mol. IUPAC: 4-O-dodecyl 1-O-octyl butanedioate.
Chemical Property Profile of Butanedioic acid, 1-dodecyl 4-octyl ester
Property Insights of Butanedioic acid, 1-dodecyl 4-octyl ester
The XLogP value of 8.9 indicates that Butanedioic acid, 1-dodecyl 4-octyl 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-dodecyl 4-octyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Butanedioic acid, 1-dodecyl 4-octyl 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-dodecyl 4-octyl ester?
The CAS number of Butanedioic acid, 1-dodecyl 4-octyl ester is 6289-57-2.
What is the molecular formula of Butanedioic acid, 1-dodecyl 4-octyl ester?
The molecular formula of Butanedioic acid, 1-dodecyl 4-octyl ester is C24H46O4.
What is the molecular weight of Butanedioic acid, 1-dodecyl 4-octyl ester?
The molecular weight of Butanedioic acid, 1-dodecyl 4-octyl ester is 398.34 g/mol.
Where can I buy Butanedioic acid, 1-dodecyl 4-octyl ester?
You can request a quote for Butanedioic acid, 1-dodecyl 4-octyl 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-dodecyl 4-octyl ester?
Yes, KEHONG BIO provides custom synthesis services for Butanedioic acid, 1-dodecyl 4-octyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.