2-Octyldodecyl octadec-9-enoate
TL;DR: 2-Octyldodecyl octadec-9-enoate (CAS 22801-45-2) is a chemical compound with molecular formula C38H74O2 and molecular weight 562.57 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-octyldodecyl octadec-9-enoate
Also Known As: 9-Octadecenoic acid(9Z)-, 2-octyldodecyl ester
| Molecular Formula | C38H74O2 |
|---|---|
| Molecular Weight | 562.57 g/mol |
| LogP | 17.2 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 34 |
| Exact Mass | 562.5689 |
| Heavy Atoms | 40 |
| Complexity | 512.0 |
Chemical Identifiers
| CAS Number | 22801-45-2 |
|---|---|
| SMILES | CCCCCCCCCCC(CCCCCCCC)COC(=O)CCCCCCCC=CCCCCCCCC |
| InChIKey | GECRRQVLQHRVNH-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 11 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Octyldodecyl octadec-9-enoate (CAS 22801-45-2), with molecular formula C38H74O2 and molecular weight 562.57 g/mol. IUPAC: 2-octyldodecyl octadec-9-enoate.
Chemical Property Profile of 2-Octyldodecyl octadec-9-enoate
Property Insights of 2-Octyldodecyl octadec-9-enoate
The XLogP value of 17.2 indicates that 2-Octyldodecyl octadec-9-enoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, 2-Octyldodecyl octadec-9-enoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Octyldodecyl octadec-9-enoate has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-Octyldodecyl octadec-9-enoate?
The CAS number of 2-Octyldodecyl octadec-9-enoate is 22801-45-2.
What is the molecular formula of 2-Octyldodecyl octadec-9-enoate?
The molecular formula of 2-Octyldodecyl octadec-9-enoate is C38H74O2.
What is the molecular weight of 2-Octyldodecyl octadec-9-enoate?
The molecular weight of 2-Octyldodecyl octadec-9-enoate is 562.57 g/mol.
Where can I buy 2-Octyldodecyl octadec-9-enoate?
You can request a quote for 2-Octyldodecyl octadec-9-enoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Octyldodecyl octadec-9-enoate?
Yes, KEHONG BIO provides custom synthesis services for 2-Octyldodecyl octadec-9-enoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.