3-Acetylchromen-4-one
TL;DR: 3-Acetylchromen-4-one (CAS 17422-75-2) is a chemical compound with molecular formula C11H8O3 and molecular weight 188.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-acetylchromen-4-one
Also Known As: 3-acetylchromen-4-one, 3-Acetylchromone, 3-acetyl-4H-chromen-4-one, Maybridge1_007641, 4H-1-Benzopyran-4-one, 3-acetyl-
| Molecular Formula | C11H8O3 |
|---|---|
| Molecular Weight | 188.05 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 43.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 188.04735 |
| Heavy Atoms | 14 |
| Complexity | 304.0 |
Chemical Identifiers
| CAS Number | 17422-75-2 |
|---|---|
| SMILES | CC(=O)C1=COC2=CC=CC=C2C1=O |
| InChIKey | ISAMPIWZEOEJHQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Acetylchromen-4-one (CAS 17422-75-2), with molecular formula C11H8O3 and molecular weight 188.05 g/mol. IUPAC: 3-acetylchromen-4-one.
Chemical Property Profile of 3-Acetylchromen-4-one
Property Insights of 3-Acetylchromen-4-one
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Acetylchromen-4-one. With a topological polar surface area (TPSA) of 43.4 Ų, 3-Acetylchromen-4-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Acetylchromen-4-one has 0 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 3-Acetylchromen-4-one?
The CAS number of 3-Acetylchromen-4-one is 17422-75-2.
What is the molecular formula of 3-Acetylchromen-4-one?
The molecular formula of 3-Acetylchromen-4-one is C11H8O3.
What is the molecular weight of 3-Acetylchromen-4-one?
The molecular weight of 3-Acetylchromen-4-one is 188.05 g/mol.
Where can I buy 3-Acetylchromen-4-one?
You can request a quote for 3-Acetylchromen-4-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Acetylchromen-4-one?
Yes, KEHONG BIO provides custom synthesis services for 3-Acetylchromen-4-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.