十二烷二酸二异十三烷基酯
TL;DR: 十二烷二酸二异十三烷基酯 (CAS 84731-63-5) is a chemical compound with molecular formula C38H74O4 and molecular weight 594.56 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
十二烷二酸二异十三烷基酯
bis(11-methyldodecyl) dodecanedioate
Also Known As: Diisotridecyl dodecanedioate, bis(11-methyldodecyl) dodecanedioate, Dodecanedioic acid, diisotridecyl ester, Bis(11-methyldodecyl)dodecanedioate, Dodecanedioic acid, di-C11-14-isoalkyl esters, C13-rich
| Molecular Formula | C38H74O4 |
|---|---|
| Molecular Weight | 594.56 g/mol |
| LogP | 15.5 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 35 |
| Exact Mass | 594.5587 |
| Heavy Atoms | 42 |
| Complexity | 521.0 |
Chemical Identifiers
| CAS Number | 84731-63-5 |
|---|---|
| SMILES | CC(C)CCCCCCCCCCOC(=O)CCCCCCCCCCC(=O)OCCCCCCCCCCC(C)C |
| InChIKey | XLXMYOUBZINZAX-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
十二烷二酸二异十三烷基酯 (CAS 84731-63-5), with molecular formula C38H74O4 and molecular weight 594.56 g/mol. IUPAC: bis(11-methyldodecyl) dodecanedioate.
Chemical Property Profile of 十二烷二酸二异十三烷基酯
Property Insights of 十二烷二酸二异十三烷基酯
The XLogP value of 15.5 indicates that 十二烷二酸二异十三烷基酯 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.6 Ų, 十二烷二酸二异十三烷基酯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 十二烷二酸二异十三烷基酯 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 十二烷二酸二异十三烷基酯?
The CAS number of 十二烷二酸二异十三烷基酯 is 84731-63-5.
What is the molecular formula of 十二烷二酸二异十三烷基酯?
The molecular formula of 十二烷二酸二异十三烷基酯 is C38H74O4.
What is the molecular weight of 十二烷二酸二异十三烷基酯?
The molecular weight of 十二烷二酸二异十三烷基酯 is 594.56 g/mol.
Where can I buy 十二烷二酸二异十三烷基酯?
You can request a quote for 十二烷二酸二异十三烷基酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 十二烷二酸二异十三烷基酯?
Yes, KEHONG BIO provides custom synthesis services for 十二烷二酸二异十三烷基酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.