Phthalic acid, butyl 2-pentyl ester
TL;DR: Phthalic acid, butyl 2-pentyl ester (CAS 3461-29-8) 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-butyl 2-O-pentyl benzene-1,2-dicarboxylate
Also Known As: butyl n-pentyl phthalate, Phthalic acid, butyl 2-pentyl ester, Phthalic acid,butyl 2-pentyl ester, butyl pentyl benzene-1,2-dicarboxylate, pentyl butyl benzene-1,2-dicarboxylate
| Molecular Formula | C17H24O4 |
|---|---|
| Molecular Weight | 292.17 g/mol |
| LogP | 5.3 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 11 |
| Exact Mass | 292.16745 |
| Heavy Atoms | 21 |
| Complexity | 314.0 |
Chemical Identifiers
| CAS Number | 3461-29-8 |
|---|---|
| SMILES | CCCCCOC(=O)C1=CC=CC=C1C(=O)OCCCC |
| InChIKey | QCSMHPYITCGSTG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Phthalic acid, butyl 2-pentyl ester (CAS 3461-29-8), with molecular formula C17H24O4 and molecular weight 292.17 g/mol. IUPAC: 1-O-butyl 2-O-pentyl benzene-1,2-dicarboxylate.
Chemical Property Profile of Phthalic acid, butyl 2-pentyl ester
Property Insights of Phthalic acid, butyl 2-pentyl ester
The XLogP value of 5.3 indicates that Phthalic acid, butyl 2-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, butyl 2-pentyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Phthalic acid, butyl 2-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, butyl 2-pentyl ester?
The CAS number of Phthalic acid, butyl 2-pentyl ester is 3461-29-8.
What is the molecular formula of Phthalic acid, butyl 2-pentyl ester?
The molecular formula of Phthalic acid, butyl 2-pentyl ester is C17H24O4.
What is the molecular weight of Phthalic acid, butyl 2-pentyl ester?
The molecular weight of Phthalic acid, butyl 2-pentyl ester is 292.17 g/mol.
Where can I buy Phthalic acid, butyl 2-pentyl ester?
You can request a quote for Phthalic acid, butyl 2-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, butyl 2-pentyl ester?
Yes, KEHONG BIO provides custom synthesis services for Phthalic acid, butyl 2-pentyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.