6-Hydroxy-1-(4-methylphenyl)hexane-1,3-dione
TL;DR: 6-Hydroxy-1-(4-methylphenyl)hexane-1,3-dione (CAS 69745-21-7) is a chemical compound with molecular formula C13H16O3 and molecular weight 220.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-hydroxy-1-(4-methylphenyl)hexane-1,3-dione
Also Known As: o-Tolyl isocyanide, 6-Hydroxy-1-(p-tolyl)hexane-1,3-dione, 6-hydroxy-1-(4-methylphenyl)hexane-1,3-dione, 6-HYDROXY-1-(4-METHYLPHENYL)-1,3-HEXANEDIONE, hydroxymethylphenylhexanedione
| Molecular Formula | C13H16O3 |
|---|---|
| Molecular Weight | 220.11 g/mol |
| LogP | 1.90942 |
| Topological Polar Surface Area | 54.37 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 220.10994 |
| Heavy Atoms | 16 |
| Complexity | 365.269 |
Chemical Identifiers
| CAS Number | 69745-21-7 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C(=O)CC(=O)CCCO |
Product Overview
6-Hydroxy-1-(4-methylphenyl)hexane-1,3-dione (CAS 69745-21-7), with molecular formula C13H16O3 and molecular weight 220.11 g/mol. IUPAC: 6-hydroxy-1-(4-methylphenyl)hexane-1,3-dione.
Chemical Property Profile of 6-Hydroxy-1-(4-methylphenyl)hexane-1,3-dione
Property Insights of 6-Hydroxy-1-(4-methylphenyl)hexane-1,3-dione
The XLogP value of 1.90942 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-Hydroxy-1-(4-methylphenyl)hexane-1,3-dione. With a topological polar surface area (TPSA) of 54.37 Ų, 6-Hydroxy-1-(4-methylphenyl)hexane-1,3-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 6-Hydroxy-1-(4-methylphenyl)hexane-1,3-dione 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-Hydroxy-1-(4-methylphenyl)hexane-1,3-dione?
The CAS number of 6-Hydroxy-1-(4-methylphenyl)hexane-1,3-dione is 69745-21-7.
What is the molecular formula of 6-Hydroxy-1-(4-methylphenyl)hexane-1,3-dione?
The molecular formula of 6-Hydroxy-1-(4-methylphenyl)hexane-1,3-dione is C13H16O3.
What is the molecular weight of 6-Hydroxy-1-(4-methylphenyl)hexane-1,3-dione?
The molecular weight of 6-Hydroxy-1-(4-methylphenyl)hexane-1,3-dione is 220.11 g/mol.
Where can I buy 6-Hydroxy-1-(4-methylphenyl)hexane-1,3-dione?
You can request a quote for 6-Hydroxy-1-(4-methylphenyl)hexane-1,3-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-Hydroxy-1-(4-methylphenyl)hexane-1,3-dione?
Yes, KEHONG BIO provides custom synthesis services for 6-Hydroxy-1-(4-methylphenyl)hexane-1,3-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.