Mono-5-methylhexylphthalate
TL;DR: Mono-5-methylhexylphthalate (CAS 97906-34-8) 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-(5-methylhexoxycarbonyl)benzoic acid
Also Known As: MMHP, Mono-5-methylhexylphthalate, 2-(5-methylhexoxycarbonyl)benzoic acid, starbld0005947, 2-{[(5-methylhexyl)oxy]carbonyl}benzoic acid
| Molecular Formula | C15H20O4 |
|---|---|
| Molecular Weight | 264.14 g/mol |
| LogP | 4.5 |
| Topological Polar Surface Area | 63.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 264.13617 |
| Heavy Atoms | 19 |
| Complexity | 299.0 |
Chemical Identifiers
| CAS Number | 97906-34-8 |
|---|---|
| SMILES | CC(C)CCCCOC(=O)C1=CC=CC=C1C(=O)O |
| InChIKey | JKEXECONEPQHOO-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Mono-5-methylhexylphthalate (CAS 97906-34-8), with molecular formula C15H20O4 and molecular weight 264.14 g/mol. IUPAC: 2-(5-methylhexoxycarbonyl)benzoic acid.
Chemical Property Profile of Mono-5-methylhexylphthalate
Property Insights of Mono-5-methylhexylphthalate
The XLogP value of 4.5 indicates that Mono-5-methylhexylphthalate 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-5-methylhexylphthalate. Following Lipinski's Rule of Five, Mono-5-methylhexylphthalate 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-5-methylhexylphthalate?
The CAS number of Mono-5-methylhexylphthalate is 97906-34-8.
What is the molecular formula of Mono-5-methylhexylphthalate?
The molecular formula of Mono-5-methylhexylphthalate is C15H20O4.
What is the molecular weight of Mono-5-methylhexylphthalate?
The molecular weight of Mono-5-methylhexylphthalate is 264.14 g/mol.
Where can I buy Mono-5-methylhexylphthalate?
You can request a quote for Mono-5-methylhexylphthalate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Mono-5-methylhexylphthalate?
Yes, KEHONG BIO provides custom synthesis services for Mono-5-methylhexylphthalate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.