Hexyl methyl phthalate
TL;DR: Hexyl methyl phthalate (CAS 3461-23-2) 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-O-hexyl 1-O-methyl benzene-1,2-dicarboxylate
Also Known As: Hexyl methyl phthalate, methylhexyl phthalate, methyl hexyl phthalate, Phthalic acid, hexyl methyl ester, Phthalic acid 1-hexyl 2-methyl ester
| Molecular Formula | C15H20O4 |
|---|---|
| Molecular Weight | 264.14 g/mol |
| LogP | 4.6 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 9 |
| Exact Mass | 264.13617 |
| Heavy Atoms | 19 |
| Complexity | 288.0 |
Chemical Identifiers
| CAS Number | 3461-23-2 |
|---|---|
| SMILES | CCCCCCOC(=O)C1=CC=CC=C1C(=O)OC |
| InChIKey | XXLNRTDEQNSKEZ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Hexyl methyl phthalate (CAS 3461-23-2), with molecular formula C15H20O4 and molecular weight 264.14 g/mol. IUPAC: 2-O-hexyl 1-O-methyl benzene-1,2-dicarboxylate.
Chemical Property Profile of Hexyl methyl phthalate
Property Insights of Hexyl methyl phthalate
The XLogP value of 4.6 indicates that Hexyl methyl phthalate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.6 Ų, Hexyl methyl phthalate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Hexyl methyl phthalate has 0 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 Hexyl methyl phthalate?
The CAS number of Hexyl methyl phthalate is 3461-23-2.
What is the molecular formula of Hexyl methyl phthalate?
The molecular formula of Hexyl methyl phthalate is C15H20O4.
What is the molecular weight of Hexyl methyl phthalate?
The molecular weight of Hexyl methyl phthalate is 264.14 g/mol.
Where can I buy Hexyl methyl phthalate?
You can request a quote for Hexyl methyl phthalate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Hexyl methyl phthalate?
Yes, KEHONG BIO provides custom synthesis services for Hexyl methyl phthalate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.