8-Methylnonyl octadec-9-enoate
TL;DR: 8-Methylnonyl octadec-9-enoate (CAS 59231-34-4) is a chemical compound with molecular formula C28H54O2 and molecular weight 422.41 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-methylnonyl octadec-9-enoate
Also Known As: 8-methylnonyl octadec-9-enoate, 9-Octadecenoic acid (9Z)-, 8-methylnonyl ester, 9-Octadecenoic acid(9Z)-, isodecyl ester, 9-Octadecenoic acid (9Z)-, isodecyl ester
| Molecular Formula | C28H54O2 |
|---|---|
| Molecular Weight | 422.41 g/mol |
| LogP | 11.8 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 24 |
| Exact Mass | 422.41238 |
| Heavy Atoms | 30 |
| Complexity | 373.0 |
Chemical Identifiers
| CAS Number | 59231-34-4 |
|---|---|
| SMILES | CCCCCCCCC=CCCCCCCCC(=O)OCCCCCCCC(C)C |
| InChIKey | ODMZDMMTKHXXKA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 21 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
8-Methylnonyl octadec-9-enoate (CAS 59231-34-4), with molecular formula C28H54O2 and molecular weight 422.41 g/mol. IUPAC: 8-methylnonyl octadec-9-enoate.
Chemical Property Profile of 8-Methylnonyl octadec-9-enoate
Property Insights of 8-Methylnonyl octadec-9-enoate
The XLogP value of 11.8 indicates that 8-Methylnonyl 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, 8-Methylnonyl octadec-9-enoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 8-Methylnonyl 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 8-Methylnonyl octadec-9-enoate?
The CAS number of 8-Methylnonyl octadec-9-enoate is 59231-34-4.
What is the molecular formula of 8-Methylnonyl octadec-9-enoate?
The molecular formula of 8-Methylnonyl octadec-9-enoate is C28H54O2.
What is the molecular weight of 8-Methylnonyl octadec-9-enoate?
The molecular weight of 8-Methylnonyl octadec-9-enoate is 422.41 g/mol.
Where can I buy 8-Methylnonyl octadec-9-enoate?
You can request a quote for 8-Methylnonyl 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 8-Methylnonyl octadec-9-enoate?
Yes, KEHONG BIO provides custom synthesis services for 8-Methylnonyl octadec-9-enoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.