间苯三酚丙酮
TL;DR: 间苯三酚丙酮 (CAS 2295-58-1) is a chemical compound with molecular formula C9H10O4 and molecular weight 182.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
间苯三酚丙酮
1-(2,4,6-trihydroxyphenyl)propan-1-one
Also Known As: flopropione, Cospanon, Labrodax, Argobyl, Labroda
| Molecular Formula | C9H10O4 |
|---|---|
| Molecular Weight | 182.06 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 77.8 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 182.0579 |
| Heavy Atoms | 13 |
| Complexity | 180.0 |
Chemical Identifiers
| CAS Number | 2295-58-1 |
|---|---|
| SMILES | CCC(=O)C1=C(C=C(C=C1O)O)O |
| InChIKey | PTHLEKANMPKYDB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 11 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
间苯三酚丙酮 (CAS 2295-58-1), with molecular formula C9H10O4 and molecular weight 182.06 g/mol. IUPAC: 1-(2,4,6-trihydroxyphenyl)propan-1-one.
Chemical Property Profile of 间苯三酚丙酮
Property Insights of 间苯三酚丙酮
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 间苯三酚丙酮. The TPSA of 77.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 间苯三酚丙酮. Following Lipinski's Rule of Five, Flopropione has 3 hydrogen bond donor(s) and 4 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 Flopropione?
The CAS number of Flopropione is 2295-58-1.
What is the molecular formula of Flopropione?
The molecular formula of Flopropione is C9H10O4.
What is the molecular weight of Flopropione?
The molecular weight of Flopropione is 182.06 g/mol.
Where can I buy Flopropione?
You can request a quote for Flopropione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Flopropione?
Yes, KEHONG BIO provides custom synthesis services for Flopropione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.