1,3-Benzenedicarboxylic acid, dipentyl ester
TL;DR: 1,3-Benzenedicarboxylic acid, dipentyl ester (CAS 4654-16-4) is a chemical compound with molecular formula C18H26O4 and molecular weight 306.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dipentyl benzene-1,3-dicarboxylate
Also Known As: dipentyl isophthalate, Isophthalsaeure-dipentylester, dipentyl benzene-1,3-dicarboxylate, 1,3-Benzenedicarboxylic acid, dipentyl ester
| Molecular Formula | C18H26O4 |
|---|---|
| Molecular Weight | 306.18 g/mol |
| LogP | 6.6 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 12 |
| Exact Mass | 306.1831 |
| Heavy Atoms | 22 |
| Complexity | 297.0 |
Chemical Identifiers
| CAS Number | 4654-16-4 |
|---|---|
| SMILES | CCCCCOC(=O)C1=CC(=CC=C1)C(=O)OCCCCC |
| InChIKey | KHVWJDHBKQEWMR-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,3-Benzenedicarboxylic acid, dipentyl ester (CAS 4654-16-4), with molecular formula C18H26O4 and molecular weight 306.18 g/mol. IUPAC: dipentyl benzene-1,3-dicarboxylate.
Chemical Property Profile of 1,3-Benzenedicarboxylic acid, dipentyl ester
Property Insights of 1,3-Benzenedicarboxylic acid, dipentyl ester
The XLogP value of 6.6 indicates that 1,3-Benzenedicarboxylic acid, dipentyl 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, 1,3-Benzenedicarboxylic acid, dipentyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,3-Benzenedicarboxylic acid, dipentyl 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 1,3-Benzenedicarboxylic acid, dipentyl ester?
The CAS number of 1,3-Benzenedicarboxylic acid, dipentyl ester is 4654-16-4.
What is the molecular formula of 1,3-Benzenedicarboxylic acid, dipentyl ester?
The molecular formula of 1,3-Benzenedicarboxylic acid, dipentyl ester is C18H26O4.
What is the molecular weight of 1,3-Benzenedicarboxylic acid, dipentyl ester?
The molecular weight of 1,3-Benzenedicarboxylic acid, dipentyl ester is 306.18 g/mol.
Where can I buy 1,3-Benzenedicarboxylic acid, dipentyl ester?
You can request a quote for 1,3-Benzenedicarboxylic acid, dipentyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3-Benzenedicarboxylic acid, dipentyl ester?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Benzenedicarboxylic acid, dipentyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.