6-(4 Methylphenyl)-4-oxo-hex-5-enoic acid
TL;DR: 6-(4 Methylphenyl)-4-oxo-hex-5-enoic acid (CAS 866035-83-8) is a chemical compound with molecular formula C13H14O3 and molecular weight 218.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-(4-methylphenyl)-4-oxohex-5-enoic acid
Also Known As: Bionet2_001422, 6-(4-methylphenyl)-4-oxohex-5-enoic acid, 6-(4 methylphenyl)-4-oxo-hex-5-enoic acid, (E)-6-(4-methylphenyl)-4-oxo-5-hexenoic acid
| Molecular Formula | C13H14O3 |
|---|---|
| Molecular Weight | 218.09 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 54.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 218.0943 |
| Heavy Atoms | 16 |
| Complexity | 273.0 |
Chemical Identifiers
| CAS Number | 866035-83-8 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C=CC(=O)CCC(=O)O |
| InChIKey | NEAWYNDZYLARBH-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
6-(4 Methylphenyl)-4-oxo-hex-5-enoic acid (CAS 866035-83-8), with molecular formula C13H14O3 and molecular weight 218.09 g/mol. IUPAC: 6-(4-methylphenyl)-4-oxohex-5-enoic acid.
Chemical Property Profile of 6-(4 Methylphenyl)-4-oxo-hex-5-enoic acid
Property Insights of 6-(4 Methylphenyl)-4-oxo-hex-5-enoic acid
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-(4 Methylphenyl)-4-oxo-hex-5-enoic acid. With a topological polar surface area (TPSA) of 54.4 Ų, 6-(4 Methylphenyl)-4-oxo-hex-5-enoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 6-(4 Methylphenyl)-4-oxo-hex-5-enoic acid has 1 hydrogen bond donor(s) and 3 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 6-(4 Methylphenyl)-4-oxo-hex-5-enoic acid?
The CAS number of 6-(4 Methylphenyl)-4-oxo-hex-5-enoic acid is 866035-83-8.
What is the molecular formula of 6-(4 Methylphenyl)-4-oxo-hex-5-enoic acid?
The molecular formula of 6-(4 Methylphenyl)-4-oxo-hex-5-enoic acid is C13H14O3.
What is the molecular weight of 6-(4 Methylphenyl)-4-oxo-hex-5-enoic acid?
The molecular weight of 6-(4 Methylphenyl)-4-oxo-hex-5-enoic acid is 218.09 g/mol.
Where can I buy 6-(4 Methylphenyl)-4-oxo-hex-5-enoic acid?
You can request a quote for 6-(4 Methylphenyl)-4-oxo-hex-5-enoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-(4 Methylphenyl)-4-oxo-hex-5-enoic acid?
Yes, KEHONG BIO provides custom synthesis services for 6-(4 Methylphenyl)-4-oxo-hex-5-enoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.