Phthalic acid, 7-methyloct-3-yn-5-yl nonyl ester
TL;DR: Phthalic acid, 7-methyloct-3-yn-5-yl nonyl ester (CAS 959224-32-9) is a chemical compound with molecular formula C26H38O4 and molecular weight 414.28 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-O-(2-methyloct-5-yn-4-yl) 1-O-nonyl benzene-1,2-dicarboxylate
Also Known As: Phthalic acid, 7-methyloct-3-yn-5-yl nonyl ester, 2-Methyloct-5-yn-4-yl nonyl benzene-1,2-dicarboxylate, 2-O-(2-methyloct-5-yn-4-yl) 1-O-nonyl benzene-1,2-dicarboxylate, 1,a2-aBenzenedicarboxylic acid, 1-a[1-a(2-amethylpropyl)a-a2-apentyn-a1-ayl] 2-anonyl ester
| Molecular Formula | C26H38O4 |
|---|---|
| Molecular Weight | 414.28 g/mol |
| LogP | 6.5789 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 13 |
| Exact Mass | 414.277 |
| Heavy Atoms | 30 |
| Complexity | 696.4754 |
Chemical Identifiers
| CAS Number | 959224-32-9 |
|---|---|
| SMILES | CCCCCCCCCOC(=O)C1=CC=CC=C1C(=O)OC(CC(C)C)C#CCC |
Product Overview
Phthalic acid, 7-methyloct-3-yn-5-yl nonyl ester (CAS 959224-32-9), with molecular formula C26H38O4 and molecular weight 414.28 g/mol. IUPAC: 2-O-(2-methyloct-5-yn-4-yl) 1-O-nonyl benzene-1,2-dicarboxylate.
Chemical Property Profile of Phthalic acid, 7-methyloct-3-yn-5-yl nonyl ester
Property Insights of Phthalic acid, 7-methyloct-3-yn-5-yl nonyl ester
The XLogP value of 6.5789 indicates that Phthalic acid, 7-methyloct-3-yn-5-yl nonyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.6 Ų, Phthalic acid, 7-methyloct-3-yn-5-yl nonyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Phthalic acid, 7-methyloct-3-yn-5-yl nonyl ester 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 Phthalic acid, 7-methyloct-3-yn-5-yl nonyl ester?
The CAS number of Phthalic acid, 7-methyloct-3-yn-5-yl nonyl ester is 959224-32-9.
What is the molecular formula of Phthalic acid, 7-methyloct-3-yn-5-yl nonyl ester?
The molecular formula of Phthalic acid, 7-methyloct-3-yn-5-yl nonyl ester is C26H38O4.
What is the molecular weight of Phthalic acid, 7-methyloct-3-yn-5-yl nonyl ester?
The molecular weight of Phthalic acid, 7-methyloct-3-yn-5-yl nonyl ester is 414.28 g/mol.
Where can I buy Phthalic acid, 7-methyloct-3-yn-5-yl nonyl ester?
You can request a quote for Phthalic acid, 7-methyloct-3-yn-5-yl nonyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Phthalic acid, 7-methyloct-3-yn-5-yl nonyl ester?
Yes, KEHONG BIO provides custom synthesis services for Phthalic acid, 7-methyloct-3-yn-5-yl nonyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.