1-(2H-1-Benzopyran-3-yl)ethanone
TL;DR: 1-(2H-1-Benzopyran-3-yl)ethanone (CAS 51593-70-5) is a chemical compound with molecular formula C11H10O2 and molecular weight 174.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(2H-chromen-3-yl)ethanone
Also Known As: 1-(2H-chromen-3-yl)ethanone, 3-acetylchromene, 3-ACETYL-2H-CHROME, 1-(2H-chromen-3-yl)ethan-1-one, 3-ACETYL-2H-CHROMENE
| Molecular Formula | C11H10O2 |
|---|---|
| Molecular Weight | 174.07 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 174.06808 |
| Heavy Atoms | 13 |
| Complexity | 242.0 |
Chemical Identifiers
| CAS Number | 51593-70-5 |
|---|---|
| SMILES | CC(=O)C1=CC2=CC=CC=C2OC1 |
| InChIKey | SPWAIRGUACCVAD-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-(2H-1-Benzopyran-3-yl)ethanone (CAS 51593-70-5), with molecular formula C11H10O2 and molecular weight 174.07 g/mol. IUPAC: 1-(2H-chromen-3-yl)ethanone.
Chemical Property Profile of 1-(2H-1-Benzopyran-3-yl)ethanone
Property Insights of 1-(2H-1-Benzopyran-3-yl)ethanone
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(2H-1-Benzopyran-3-yl)ethanone. With a topological polar surface area (TPSA) of 26.3 Ų, 1-(2H-1-Benzopyran-3-yl)ethanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(2H-1-Benzopyran-3-yl)ethanone has 0 hydrogen bond donor(s) and 2 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-(2H-1-Benzopyran-3-yl)ethanone?
The CAS number of 1-(2H-1-Benzopyran-3-yl)ethanone is 51593-70-5.
What is the molecular formula of 1-(2H-1-Benzopyran-3-yl)ethanone?
The molecular formula of 1-(2H-1-Benzopyran-3-yl)ethanone is C11H10O2.
What is the molecular weight of 1-(2H-1-Benzopyran-3-yl)ethanone?
The molecular weight of 1-(2H-1-Benzopyran-3-yl)ethanone is 174.07 g/mol.
Where can I buy 1-(2H-1-Benzopyran-3-yl)ethanone?
You can request a quote for 1-(2H-1-Benzopyran-3-yl)ethanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(2H-1-Benzopyran-3-yl)ethanone?
Yes, KEHONG BIO provides custom synthesis services for 1-(2H-1-Benzopyran-3-yl)ethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.