Phthalic acid, heptyl pentyl ester
TL;DR: Phthalic acid, heptyl pentyl ester (CAS 70794-32-0) is a chemical compound with molecular formula C20H30O4 and molecular weight 334.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-O-heptyl 1-O-pentyl benzene-1,2-dicarboxylate
Also Known As: Heptyl pentyl phthalate, Phthalic acid, heptyl pentyl ester, Heptyl pentyl benzene-1,2-dicarboxylate, 2-O-heptyl 1-O-pentyl benzene-1,2-dicarboxylate, RefChem:371557
| Molecular Formula | C20H30O4 |
|---|---|
| Molecular Weight | 334.21 g/mol |
| LogP | 6.9 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 14 |
| Exact Mass | 334.21442 |
| Heavy Atoms | 24 |
| Complexity | 354.0 |
Chemical Identifiers
| CAS Number | 70794-32-0 |
|---|---|
| SMILES | CCCCCCCOC(=O)C1=CC=CC=C1C(=O)OCCCCC |
| InChIKey | DOPWUIFVZJEDAV-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Phthalic acid, heptyl pentyl ester (CAS 70794-32-0), with molecular formula C20H30O4 and molecular weight 334.21 g/mol. IUPAC: 2-O-heptyl 1-O-pentyl benzene-1,2-dicarboxylate.
Chemical Property Profile of Phthalic acid, heptyl pentyl ester
Property Insights of Phthalic acid, heptyl pentyl ester
The XLogP value of 6.9 indicates that Phthalic acid, heptyl pentyl 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, heptyl pentyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Phthalic acid, heptyl pentyl 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, heptyl pentyl ester?
The CAS number of Phthalic acid, heptyl pentyl ester is 70794-32-0.
What is the molecular formula of Phthalic acid, heptyl pentyl ester?
The molecular formula of Phthalic acid, heptyl pentyl ester is C20H30O4.
What is the molecular weight of Phthalic acid, heptyl pentyl ester?
The molecular weight of Phthalic acid, heptyl pentyl ester is 334.21 g/mol.
Where can I buy Phthalic acid, heptyl pentyl ester?
You can request a quote for Phthalic acid, heptyl pentyl 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, heptyl pentyl ester?
Yes, KEHONG BIO provides custom synthesis services for Phthalic acid, heptyl pentyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.