Mono(2-ethyl-5-oxohexyl) adipate
TL;DR: Mono(2-ethyl-5-oxohexyl) adipate (CAS 134998-72-4) is a chemical compound with molecular formula C14H24O5 and molecular weight 272.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-(2-ethyl-5-oxohexoxy)-6-oxohexanoic acid
Also Known As: Mono(2-ethyl-5-oxohexyl) adipate, 5-oxo-MEHA, MONO- -ADIPATE, 6-(2-ethyl-5-oxohexoxy)-6-oxohexanoic acid, 1-(2-Ethyl-5-oxohexyl) hexanedioate
| Molecular Formula | C14H24O5 |
|---|---|
| Molecular Weight | 272.16 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 80.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 12 |
| Exact Mass | 272.16238 |
| Heavy Atoms | 19 |
| Complexity | 298.0 |
Chemical Identifiers
| CAS Number | 134998-72-4 |
|---|---|
| SMILES | CCC(CCC(=O)C)COC(=O)CCCCC(=O)O |
| InChIKey | XLMWFRRVVDGMRV-UHFFFAOYSA-N |
Product Overview
Mono(2-ethyl-5-oxohexyl) adipate (CAS 134998-72-4), with molecular formula C14H24O5 and molecular weight 272.16 g/mol. IUPAC: 6-(2-ethyl-5-oxohexoxy)-6-oxohexanoic acid.
Chemical Property Profile of Mono(2-ethyl-5-oxohexyl) adipate
Property Insights of Mono(2-ethyl-5-oxohexyl) adipate
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Mono(2-ethyl-5-oxohexyl) adipate. The TPSA of 80.7 Ų falls within the moderate polarity range, balancing permeability and solubility for Mono(2-ethyl-5-oxohexyl) adipate. Following Lipinski's Rule of Five, Mono(2-ethyl-5-oxohexyl) adipate 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) adipate?
The CAS number of Mono(2-ethyl-5-oxohexyl) adipate is 134998-72-4.
What is the molecular formula of Mono(2-ethyl-5-oxohexyl) adipate?
The molecular formula of Mono(2-ethyl-5-oxohexyl) adipate is C14H24O5.
What is the molecular weight of Mono(2-ethyl-5-oxohexyl) adipate?
The molecular weight of Mono(2-ethyl-5-oxohexyl) adipate is 272.16 g/mol.
Where can I buy Mono(2-ethyl-5-oxohexyl) adipate?
You can request a quote for Mono(2-ethyl-5-oxohexyl) adipate 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) adipate?
Yes, KEHONG BIO provides custom synthesis services for Mono(2-ethyl-5-oxohexyl) adipate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.