1-(4-Hydroxyphenyl)propane-1,2-dione
TL;DR: 1-(4-Hydroxyphenyl)propane-1,2-dione (CAS 10087-36-2) is a chemical compound with molecular formula C9H8O3 and molecular weight 164.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-hydroxyphenyl)propane-1,2-dione
Also Known As: 1-(4-hydroxyphenyl)propane-1,2-dione, RITODRINE_met016, ISOXSUPRINE_met012, 4-Hydroxyphenylacetylketone, 1,2-Propanedione,1-(4-hydroxyphenyl)-
| Molecular Formula | C9H8O3 |
|---|---|
| Molecular Weight | 164.05 g/mol |
| LogP | 0.9 |
| Topological Polar Surface Area | 54.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 164.04735 |
| Heavy Atoms | 12 |
| Complexity | 190.0 |
Chemical Identifiers
| CAS Number | 10087-36-2 |
|---|---|
| SMILES | CC(=O)C(=O)C1=CC=C(C=C1)O |
| InChIKey | PQRIZEYPOXNMDQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-(4-Hydroxyphenyl)propane-1,2-dione (CAS 10087-36-2), with molecular formula C9H8O3 and molecular weight 164.05 g/mol. IUPAC: 1-(4-hydroxyphenyl)propane-1,2-dione.
Chemical Property Profile of 1-(4-Hydroxyphenyl)propane-1,2-dione
Property Insights of 1-(4-Hydroxyphenyl)propane-1,2-dione
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(4-Hydroxyphenyl)propane-1,2-dione. With a topological polar surface area (TPSA) of 54.4 Ų, 1-(4-Hydroxyphenyl)propane-1,2-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(4-Hydroxyphenyl)propane-1,2-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 1-(4-Hydroxyphenyl)propane-1,2-dione?
The CAS number of 1-(4-Hydroxyphenyl)propane-1,2-dione is 10087-36-2.
What is the molecular formula of 1-(4-Hydroxyphenyl)propane-1,2-dione?
The molecular formula of 1-(4-Hydroxyphenyl)propane-1,2-dione is C9H8O3.
What is the molecular weight of 1-(4-Hydroxyphenyl)propane-1,2-dione?
The molecular weight of 1-(4-Hydroxyphenyl)propane-1,2-dione is 164.05 g/mol.
Where can I buy 1-(4-Hydroxyphenyl)propane-1,2-dione?
You can request a quote for 1-(4-Hydroxyphenyl)propane-1,2-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(4-Hydroxyphenyl)propane-1,2-dione?
Yes, KEHONG BIO provides custom synthesis services for 1-(4-Hydroxyphenyl)propane-1,2-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.