Decyl dodecyl butanedioate
TL;DR: Decyl dodecyl butanedioate (CAS 6289-53-8) is a chemical compound with molecular formula C26H50O4 and molecular weight 426.37 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-O-decyl 4-O-dodecyl butanedioate
Also Known As: decyl dodecyl butanedioate, Dodecyl Decyl Butanedioate, 1-O-decyl 4-O-dodecyl butanedioate, Butanedioic acid, 1-decyl 4-dodecyl ester
| Molecular Formula | C26H50O4 |
|---|---|
| Molecular Weight | 426.37 g/mol |
| LogP | 10.0 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 25 |
| Exact Mass | 426.3709 |
| Heavy Atoms | 30 |
| Complexity | 381.0 |
Chemical Identifiers
| CAS Number | 6289-53-8 |
|---|---|
| SMILES | CCCCCCCCCCCCOC(=O)CCC(=O)OCCCCCCCCCC |
| InChIKey | MFZSPBMIGBRLPG-UHFFFAOYSA-N |
Product Overview
Decyl dodecyl butanedioate (CAS 6289-53-8), with molecular formula C26H50O4 and molecular weight 426.37 g/mol. IUPAC: 1-O-decyl 4-O-dodecyl butanedioate.
Chemical Property Profile of Decyl dodecyl butanedioate
Property Insights of Decyl dodecyl butanedioate
The XLogP value of 10.0 indicates that Decyl dodecyl butanedioate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.6 Ų, Decyl dodecyl butanedioate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Decyl dodecyl butanedioate 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 Decyl dodecyl butanedioate?
The CAS number of Decyl dodecyl butanedioate is 6289-53-8.
What is the molecular formula of Decyl dodecyl butanedioate?
The molecular formula of Decyl dodecyl butanedioate is C26H50O4.
What is the molecular weight of Decyl dodecyl butanedioate?
The molecular weight of Decyl dodecyl butanedioate is 426.37 g/mol.
Where can I buy Decyl dodecyl butanedioate?
You can request a quote for Decyl dodecyl butanedioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Decyl dodecyl butanedioate?
Yes, KEHONG BIO provides custom synthesis services for Decyl dodecyl butanedioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.