Monohexyl Phthalate
TL;DR: Monohexyl Phthalate (CAS 24539-57-9) is a chemical compound with molecular formula C14H18O4 and molecular weight 250.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-hexoxycarbonylbenzoic acid
Also Known As: Monohexyl Phthalate, Mono-n-hexyl phthalate, 2-hexoxycarbonylbenzoic acid, Hexyl hydrogen phthalate, mono-hexyl phthalate
| Molecular Formula | C14H18O4 |
|---|---|
| Molecular Weight | 250.12 g/mol |
| LogP | 4.2 |
| Topological Polar Surface Area | 63.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 250.12051 |
| Heavy Atoms | 18 |
| Complexity | 275.0 |
Chemical Identifiers
| CAS Number | 24539-57-9 |
|---|---|
| SMILES | CCCCCCOC(=O)C1=CC=CC=C1C(=O)O |
| InChIKey | XOSNGXNHDRYFEF-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 14 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Monohexyl Phthalate (CAS 24539-57-9), with molecular formula C14H18O4 and molecular weight 250.12 g/mol. IUPAC: 2-hexoxycarbonylbenzoic acid.
Chemical Property Profile of Monohexyl Phthalate
Property Insights of Monohexyl Phthalate
The XLogP value of 4.2 indicates that Monohexyl 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 Monohexyl Phthalate. Following Lipinski's Rule of Five, Monohexyl 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 Monohexyl Phthalate?
The CAS number of Monohexyl Phthalate is 24539-57-9.
What is the molecular formula of Monohexyl Phthalate?
The molecular formula of Monohexyl Phthalate is C14H18O4.
What is the molecular weight of Monohexyl Phthalate?
The molecular weight of Monohexyl Phthalate is 250.12 g/mol.
Where can I buy Monohexyl Phthalate?
You can request a quote for Monohexyl Phthalate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Monohexyl Phthalate?
Yes, KEHONG BIO provides custom synthesis services for Monohexyl Phthalate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.