Dioleyl adipate
TL;DR: Dioleyl adipate (CAS 40677-77-8) is a chemical compound with molecular formula C42H78O4 and molecular weight 646.59 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
bis(octadec-9-enyl) hexanedioate
Also Known As: Dioleyl adipate, Hexanedioic acid, di-(9Z)-9-octadecenyl ester, Hexanedioic acid, di-9-octadecenyl ester, (Z,Z)-, Hexanedioic acid, 1,6-di-(9Z)-9-octadecen-1-yl ester, Hexanedioic acid, bis(9Z)-9-octadecenyl ester, (Z,Z)-
| Molecular Formula | C42H78O4 |
|---|---|
| Molecular Weight | 646.59 g/mol |
| LogP | 16.4 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 39 |
| Exact Mass | 646.59 |
| Heavy Atoms | 46 |
| Complexity | 625.0 |
Chemical Identifiers
| CAS Number | 40677-77-8 |
|---|---|
| SMILES | CCCCCCCCC=CCCCCCCCCOC(=O)CCCCC(=O)OCCCCCCCCC=CCCCCCCCC |
| InChIKey | QZULIRBSQUIUTA-UHFFFAOYSA-N |
Product Overview
Dioleyl adipate (CAS 40677-77-8), with molecular formula C42H78O4 and molecular weight 646.59 g/mol. IUPAC: bis(octadec-9-enyl) hexanedioate.
Chemical Property Profile of Dioleyl adipate
Property Insights of Dioleyl adipate
The XLogP value of 16.4 indicates that Dioleyl adipate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.6 Ų, Dioleyl adipate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Dioleyl adipate 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 Dioleyl adipate?
The CAS number of Dioleyl adipate is 40677-77-8.
What is the molecular formula of Dioleyl adipate?
The molecular formula of Dioleyl adipate is C42H78O4.
What is the molecular weight of Dioleyl adipate?
The molecular weight of Dioleyl adipate is 646.59 g/mol.
Where can I buy Dioleyl adipate?
You can request a quote for Dioleyl adipate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Dioleyl adipate?
Yes, KEHONG BIO provides custom synthesis services for Dioleyl adipate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.