Butanedioic acid, 1-dodecyl 4-hexyl ester
TL;DR: Butanedioic acid, 1-dodecyl 4-hexyl ester (CAS 6289-64-1) is a chemical compound with molecular formula C22H42O4 and molecular weight 370.31 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-O-dodecyl 1-O-hexyl butanedioate
Also Known As: Dodecyl Hexyl Butanedioate, 4-O-dodecyl 1-O-hexyl butanedioate, Butanedioic acid, 1-dodecyl 4-hexyl ester, Succinic acid, dodecyl hexyl ester, RefChem:330567
| Molecular Formula | C22H42O4 |
|---|---|
| Molecular Weight | 370.31 g/mol |
| LogP | 7.8 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 21 |
| Exact Mass | 370.30832 |
| Heavy Atoms | 26 |
| Complexity | 328.0 |
Chemical Identifiers
| CAS Number | 6289-64-1 |
|---|---|
| SMILES | CCCCCCCCCCCCOC(=O)CCC(=O)OCCCCCC |
| InChIKey | WKKGYGWNLGFMDD-UHFFFAOYSA-N |
Product Overview
Butanedioic acid, 1-dodecyl 4-hexyl ester (CAS 6289-64-1), with molecular formula C22H42O4 and molecular weight 370.31 g/mol. IUPAC: 4-O-dodecyl 1-O-hexyl butanedioate.
Chemical Property Profile of Butanedioic acid, 1-dodecyl 4-hexyl ester
Property Insights of Butanedioic acid, 1-dodecyl 4-hexyl ester
The XLogP value of 7.8 indicates that Butanedioic acid, 1-dodecyl 4-hexyl 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-hexyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Butanedioic acid, 1-dodecyl 4-hexyl 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-hexyl ester?
The CAS number of Butanedioic acid, 1-dodecyl 4-hexyl ester is 6289-64-1.
What is the molecular formula of Butanedioic acid, 1-dodecyl 4-hexyl ester?
The molecular formula of Butanedioic acid, 1-dodecyl 4-hexyl ester is C22H42O4.
What is the molecular weight of Butanedioic acid, 1-dodecyl 4-hexyl ester?
The molecular weight of Butanedioic acid, 1-dodecyl 4-hexyl ester is 370.31 g/mol.
Where can I buy Butanedioic acid, 1-dodecyl 4-hexyl ester?
You can request a quote for Butanedioic acid, 1-dodecyl 4-hexyl 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-hexyl ester?
Yes, KEHONG BIO provides custom synthesis services for Butanedioic acid, 1-dodecyl 4-hexyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.