Phthalic acid, hexyl nonyl ester
TL;DR: Phthalic acid, hexyl nonyl ester (CAS 88216-56-2) is a chemical compound with molecular formula C23H36O4 and molecular weight 376.26 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-O-hexyl 2-O-nonyl benzene-1,2-dicarboxylate
Also Known As: Phthalic acid, hexyl nonyl ester, Hexyl nonyl benzene-1,2-dicarboxylate, 1,2-Benzenedicarboxylic acid, hexyl nonyl ester, 1-O-hexyl 2-O-nonyl benzene-1,2-dicarboxylate
| Molecular Formula | C23H36O4 |
|---|---|
| Molecular Weight | 376.26 g/mol |
| LogP | 6.3311 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 15 |
| Exact Mass | 376.26135 |
| Heavy Atoms | 27 |
| Complexity | 538.9348 |
Chemical Identifiers
| CAS Number | 88216-56-2 |
|---|---|
| SMILES | CCCCCCCCCOC(=O)C1=CC=CC=C1C(=O)OCCCCCC |
Product Overview
Phthalic acid, hexyl nonyl ester (CAS 88216-56-2), with molecular formula C23H36O4 and molecular weight 376.26 g/mol. IUPAC: 1-O-hexyl 2-O-nonyl benzene-1,2-dicarboxylate.
Chemical Property Profile of Phthalic acid, hexyl nonyl ester
Property Insights of Phthalic acid, hexyl nonyl ester
The XLogP value of 6.3311 indicates that Phthalic acid, hexyl 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, hexyl nonyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Phthalic acid, hexyl 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, hexyl nonyl ester?
The CAS number of Phthalic acid, hexyl nonyl ester is 88216-56-2.
What is the molecular formula of Phthalic acid, hexyl nonyl ester?
The molecular formula of Phthalic acid, hexyl nonyl ester is C23H36O4.
What is the molecular weight of Phthalic acid, hexyl nonyl ester?
The molecular weight of Phthalic acid, hexyl nonyl ester is 376.26 g/mol.
Where can I buy Phthalic acid, hexyl nonyl ester?
You can request a quote for Phthalic acid, hexyl 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, hexyl nonyl ester?
Yes, KEHONG BIO provides custom synthesis services for Phthalic acid, hexyl nonyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.