Monoheptyl phthalate
TL;DR: Monoheptyl phthalate (CAS 24539-58-0) is a chemical compound with molecular formula C15H20O4 and molecular weight 264.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-heptoxycarbonylbenzoic acid
Also Known As: monoheptyl phthalate, 2-heptoxycarbonylbenzoic acid, Phthalsaureheptylester, C7-9-Alkyl phthalates, Phthalic acid mono-n-heptyl ester
| Molecular Formula | C15H20O4 |
|---|---|
| Molecular Weight | 264.14 g/mol |
| LogP | 4.8 |
| Topological Polar Surface Area | 63.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 9 |
| Exact Mass | 264.13617 |
| Heavy Atoms | 19 |
| Complexity | 288.0 |
Chemical Identifiers
| CAS Number | 24539-58-0 |
|---|---|
| SMILES | CCCCCCCOC(=O)C1=CC=CC=C1C(=O)O |
| InChIKey | DMVQNBGDYPFJCC-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 14 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Monoheptyl phthalate (CAS 24539-58-0), with molecular formula C15H20O4 and molecular weight 264.14 g/mol. IUPAC: 2-heptoxycarbonylbenzoic acid.
Chemical Property Profile of Monoheptyl phthalate
Property Insights of Monoheptyl phthalate
The XLogP value of 4.8 indicates that Monoheptyl 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 Monoheptyl phthalate. Following Lipinski's Rule of Five, Monoheptyl 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 Monoheptyl phthalate?
The CAS number of Monoheptyl phthalate is 24539-58-0.
What is the molecular formula of Monoheptyl phthalate?
The molecular formula of Monoheptyl phthalate is C15H20O4.
What is the molecular weight of Monoheptyl phthalate?
The molecular weight of Monoheptyl phthalate is 264.14 g/mol.
Where can I buy Monoheptyl phthalate?
You can request a quote for Monoheptyl phthalate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Monoheptyl phthalate?
Yes, KEHONG BIO provides custom synthesis services for Monoheptyl phthalate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.