1-(2-Hydroxy-5-methylphenyl)-3-phenyl-1,3-propanedione
TL;DR: 1-(2-Hydroxy-5-methylphenyl)-3-phenyl-1,3-propanedione (CAS 30138-75-1) is a chemical compound with molecular formula C16H14O3 and molecular weight 254.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(2-hydroxy-5-methylphenyl)-3-phenylpropane-1,3-dione
Also Known As: 1-(2-hydroxy-5-methylphenyl)-3-phenylpropane-1,3-dione, HMDB compound, 1-(2-Hydroxy-5-methylphenyl)-3-phenyl-1,3-propanedione, KST-1B2867, 2-(2-Hydroxy-5-methylbenzoyl)acetophenone
| Molecular Formula | C16H14O3 |
|---|---|
| Molecular Weight | 254.09 g/mol |
| LogP | 3.7 |
| Topological Polar Surface Area | 54.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 254.0943 |
| Heavy Atoms | 19 |
| Complexity | 331.0 |
Chemical Identifiers
| CAS Number | 30138-75-1 |
|---|---|
| SMILES | CC1=CC(=C(C=C1)O)C(=O)CC(=O)C2=CC=CC=C2 |
| InChIKey | OKAQJPKEOQHKKY-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-(2-Hydroxy-5-methylphenyl)-3-phenyl-1,3-propanedione (CAS 30138-75-1), with molecular formula C16H14O3 and molecular weight 254.09 g/mol. IUPAC: 1-(2-hydroxy-5-methylphenyl)-3-phenylpropane-1,3-dione.
Chemical Property Profile of 1-(2-Hydroxy-5-methylphenyl)-3-phenyl-1,3-propanedione
Property Insights of 1-(2-Hydroxy-5-methylphenyl)-3-phenyl-1,3-propanedione
The XLogP value of 3.7 indicates that 1-(2-Hydroxy-5-methylphenyl)-3-phenyl-1,3-propanedione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 54.4 Ų, 1-(2-Hydroxy-5-methylphenyl)-3-phenyl-1,3-propanedione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(2-Hydroxy-5-methylphenyl)-3-phenyl-1,3-propanedione 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 1-(2-Hydroxy-5-methylphenyl)-3-phenyl-1,3-propanedione?
The CAS number of 1-(2-Hydroxy-5-methylphenyl)-3-phenyl-1,3-propanedione is 30138-75-1.
What is the molecular formula of 1-(2-Hydroxy-5-methylphenyl)-3-phenyl-1,3-propanedione?
The molecular formula of 1-(2-Hydroxy-5-methylphenyl)-3-phenyl-1,3-propanedione is C16H14O3.
What is the molecular weight of 1-(2-Hydroxy-5-methylphenyl)-3-phenyl-1,3-propanedione?
The molecular weight of 1-(2-Hydroxy-5-methylphenyl)-3-phenyl-1,3-propanedione is 254.09 g/mol.
Where can I buy 1-(2-Hydroxy-5-methylphenyl)-3-phenyl-1,3-propanedione?
You can request a quote for 1-(2-Hydroxy-5-methylphenyl)-3-phenyl-1,3-propanedione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(2-Hydroxy-5-methylphenyl)-3-phenyl-1,3-propanedione?
Yes, KEHONG BIO provides custom synthesis services for 1-(2-Hydroxy-5-methylphenyl)-3-phenyl-1,3-propanedione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.