7-Methyloctyl 7-methyloctanoate
TL;DR: 7-Methyloctyl 7-methyloctanoate (CAS 90990-06-0) is a chemical compound with molecular formula C18H36O2 and molecular weight 284.27 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-methyloctyl 7-methyloctanoate
Also Known As: Isononyl isononanoate, Tegosoft Ini, 7-methyloctyl 7-methyloctanoate, Isononyl isononate, Dermol 99
| Molecular Formula | C18H36O2 |
|---|---|
| Molecular Weight | 284.27 g/mol |
| LogP | 5.7426 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 13 |
| Exact Mass | 284.27155 |
| Heavy Atoms | 20 |
| Complexity | 221.45811 |
Chemical Identifiers
| CAS Number | 90990-06-0 |
|---|---|
| SMILES | CC(C)CCCCCCOC(=O)CCCCCC(C)C |
Product Overview
7-Methyloctyl 7-methyloctanoate (CAS 90990-06-0), with molecular formula C18H36O2 and molecular weight 284.27 g/mol. IUPAC: 7-methyloctyl 7-methyloctanoate.
Chemical Property Profile of 7-Methyloctyl 7-methyloctanoate
Property Insights of 7-Methyloctyl 7-methyloctanoate
The XLogP value of 5.7426 indicates that 7-Methyloctyl 7-methyloctanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, 7-Methyloctyl 7-methyloctanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 7-Methyloctyl 7-methyloctanoate 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 7-Methyloctyl 7-methyloctanoate?
The CAS number of 7-Methyloctyl 7-methyloctanoate is 90990-06-0.
What is the molecular formula of 7-Methyloctyl 7-methyloctanoate?
The molecular formula of 7-Methyloctyl 7-methyloctanoate is C18H36O2.
What is the molecular weight of 7-Methyloctyl 7-methyloctanoate?
The molecular weight of 7-Methyloctyl 7-methyloctanoate is 284.27 g/mol.
Where can I buy 7-Methyloctyl 7-methyloctanoate?
You can request a quote for 7-Methyloctyl 7-methyloctanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 7-Methyloctyl 7-methyloctanoate?
Yes, KEHONG BIO provides custom synthesis services for 7-Methyloctyl 7-methyloctanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.