1,2-Benzenedicarboxylic acid, methyl octyl ester
TL;DR: 1,2-Benzenedicarboxylic acid, methyl octyl ester (CAS 91485-83-5) is a chemical compound with molecular formula C17H24O4 and molecular weight 292.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-O-methyl 2-O-octyl benzene-1,2-dicarboxylate
Also Known As: methyl octyl phthalate, 1,2-Benzenedicarboxylic acid, methyl octyl ester, 1,2-benzenedicarboxylic acid, Phthalic acid, methyl octyl ester, Phthalic acid,methyl octyl ester
| Molecular Formula | C17H24O4 |
|---|---|
| Molecular Weight | 292.17 g/mol |
| LogP | 3.9905 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 9 |
| Exact Mass | 292.16745 |
| Heavy Atoms | 21 |
| Complexity | 453.85825 |
Chemical Identifiers
| CAS Number | 91485-83-5 |
|---|---|
| SMILES | CCCCCCCCOC(=O)C1=CC=CC=C1C(=O)OC |
Product Overview
1,2-Benzenedicarboxylic acid, methyl octyl ester (CAS 91485-83-5), with molecular formula C17H24O4 and molecular weight 292.17 g/mol. IUPAC: 1-O-methyl 2-O-octyl benzene-1,2-dicarboxylate.
Chemical Property Profile of 1,2-Benzenedicarboxylic acid, methyl octyl ester
Property Insights of 1,2-Benzenedicarboxylic acid, methyl octyl ester
The XLogP value of 3.9905 indicates that 1,2-Benzenedicarboxylic acid, methyl octyl 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, 1,2-Benzenedicarboxylic acid, methyl octyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,2-Benzenedicarboxylic acid, methyl octyl ester has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1,2-Benzenedicarboxylic acid, methyl octyl ester?
The CAS number of 1,2-Benzenedicarboxylic acid, methyl octyl ester is 91485-83-5.
What is the molecular formula of 1,2-Benzenedicarboxylic acid, methyl octyl ester?
The molecular formula of 1,2-Benzenedicarboxylic acid, methyl octyl ester is C17H24O4.
What is the molecular weight of 1,2-Benzenedicarboxylic acid, methyl octyl ester?
The molecular weight of 1,2-Benzenedicarboxylic acid, methyl octyl ester is 292.17 g/mol.
Where can I buy 1,2-Benzenedicarboxylic acid, methyl octyl ester?
You can request a quote for 1,2-Benzenedicarboxylic acid, methyl octyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,2-Benzenedicarboxylic acid, methyl octyl ester?
Yes, KEHONG BIO provides custom synthesis services for 1,2-Benzenedicarboxylic acid, methyl octyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.