Mono(2-ethyl-5-oxohexyl)phthalate
TL;DR: Mono(2-ethyl-5-oxohexyl)phthalate (CAS 40321-98-0) is a chemical compound with molecular formula C16H20O5 and molecular weight 292.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(2-ethyl-5-oxohexoxy)carbonylbenzoic acid
Also Known As: MEOHP, Mono(2-ethyl-5-oxohexyl)phthalate, 5-Oxo-MEHP, MEOHP cpd, rac Mono(2-ethyl-5-oxohexyl) Phthalate
| Molecular Formula | C16H20O5 |
|---|---|
| Molecular Weight | 292.13 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 80.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 9 |
| Exact Mass | 292.13107 |
| Heavy Atoms | 21 |
| Complexity | 377.0 |
Chemical Identifiers
| CAS Number | 40321-98-0 |
|---|---|
| SMILES | CCC(CCC(=O)C)COC(=O)C1=CC=CC=C1C(=O)O |
| InChIKey | HCWNFKHKKHNSSL-UHFFFAOYSA-N |
Product Overview
Mono(2-ethyl-5-oxohexyl)phthalate (CAS 40321-98-0), with molecular formula C16H20O5 and molecular weight 292.13 g/mol. IUPAC: 2-(2-ethyl-5-oxohexoxy)carbonylbenzoic acid.
Chemical Property Profile of Mono(2-ethyl-5-oxohexyl)phthalate
Property Insights of Mono(2-ethyl-5-oxohexyl)phthalate
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Mono(2-ethyl-5-oxohexyl)phthalate. The TPSA of 80.7 Ų falls within the moderate polarity range, balancing permeability and solubility for Mono(2-ethyl-5-oxohexyl)phthalate. Following Lipinski's Rule of Five, Mono(2-ethyl-5-oxohexyl)phthalate has 1 hydrogen bond donor(s) and 5 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(2-ethyl-5-oxohexyl)phthalate?
The CAS number of Mono(2-ethyl-5-oxohexyl)phthalate is 40321-98-0.
What is the molecular formula of Mono(2-ethyl-5-oxohexyl)phthalate?
The molecular formula of Mono(2-ethyl-5-oxohexyl)phthalate is C16H20O5.
What is the molecular weight of Mono(2-ethyl-5-oxohexyl)phthalate?
The molecular weight of Mono(2-ethyl-5-oxohexyl)phthalate is 292.13 g/mol.
Where can I buy Mono(2-ethyl-5-oxohexyl)phthalate?
You can request a quote for Mono(2-ethyl-5-oxohexyl)phthalate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Mono(2-ethyl-5-oxohexyl)phthalate?
Yes, KEHONG BIO provides custom synthesis services for Mono(2-ethyl-5-oxohexyl)phthalate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.