Mono-n-pentyl phthalate
TL;DR: Mono-n-pentyl phthalate (CAS 24539-56-8) is a chemical compound with molecular formula C13H16O4 and molecular weight 236.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-pentoxycarbonylbenzoic acid
Also Known As: Monopentyl Phthalate, Monoamyl Phthalate, Mono-n-pentyl Phthalate, 2-pentoxycarbonylbenzoic acid, mono-pentyl phthalate
| Molecular Formula | C13H16O4 |
|---|---|
| Molecular Weight | 236.10 g/mol |
| LogP | 3.7 |
| Topological Polar Surface Area | 63.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 236.10486 |
| Heavy Atoms | 17 |
| Complexity | 262.0 |
Chemical Identifiers
| CAS Number | 24539-56-8 |
|---|---|
| SMILES | CCCCCOC(=O)C1=CC=CC=C1C(=O)O |
| InChIKey | FPGPRAKRYDSZAW-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 13 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Mono-n-pentyl phthalate (CAS 24539-56-8), with molecular formula C13H16O4 and molecular weight 236.10 g/mol. IUPAC: 2-pentoxycarbonylbenzoic acid.
Chemical Property Profile of Mono-n-pentyl phthalate
Property Insights of Mono-n-pentyl phthalate
The XLogP value of 3.7 indicates that Mono-n-pentyl phthalate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 63.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Mono-n-pentyl phthalate. Following Lipinski's Rule of Five, Mono-n-pentyl phthalate has 1 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 Mono-n-pentyl phthalate?
The CAS number of Mono-n-pentyl phthalate is 24539-56-8.
What is the molecular formula of Mono-n-pentyl phthalate?
The molecular formula of Mono-n-pentyl phthalate is C13H16O4.
What is the molecular weight of Mono-n-pentyl phthalate?
The molecular weight of Mono-n-pentyl phthalate is 236.10 g/mol.
Where can I buy Mono-n-pentyl phthalate?
You can request a quote for Mono-n-pentyl phthalate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Mono-n-pentyl phthalate?
Yes, KEHONG BIO provides custom synthesis services for Mono-n-pentyl phthalate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.