1-(7-Methoxy-2H-1-benzopyran-3-yl)ethanone
TL;DR: 1-(7-Methoxy-2H-1-benzopyran-3-yl)ethanone (CAS 57543-55-2) is a chemical compound with molecular formula C12H12O3 and molecular weight 204.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(7-methoxy-2H-chromen-3-yl)ethanone
Also Known As: 1-(7-methoxy-2H-chromen-3-yl)ethanone, 2H-1-BENZOPYRAN, 3-ACETYL-7-METHOXY-, 1-(7-methoxy-2H-chromen-3-yl)-ethanone, 3-Acetyl-7-methoxy-2H-1-benzopyran, 1-(7-methoxy-2H-chromen-3-yl)ethan-1-one
| Molecular Formula | C12H12O3 |
|---|---|
| Molecular Weight | 204.08 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 35.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 204.07864 |
| Heavy Atoms | 15 |
| Complexity | 283.0 |
Chemical Identifiers
| CAS Number | 57543-55-2 |
|---|---|
| SMILES | CC(=O)C1=CC2=C(C=C(C=C2)OC)OC1 |
| InChIKey | IXPOUIHJJIXKFS-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-(7-Methoxy-2H-1-benzopyran-3-yl)ethanone (CAS 57543-55-2), with molecular formula C12H12O3 and molecular weight 204.08 g/mol. IUPAC: 1-(7-methoxy-2H-chromen-3-yl)ethanone.
Chemical Property Profile of 1-(7-Methoxy-2H-1-benzopyran-3-yl)ethanone
Property Insights of 1-(7-Methoxy-2H-1-benzopyran-3-yl)ethanone
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(7-Methoxy-2H-1-benzopyran-3-yl)ethanone. With a topological polar surface area (TPSA) of 35.5 Ų, 1-(7-Methoxy-2H-1-benzopyran-3-yl)ethanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(7-Methoxy-2H-1-benzopyran-3-yl)ethanone 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 1-(7-Methoxy-2H-1-benzopyran-3-yl)ethanone?
The CAS number of 1-(7-Methoxy-2H-1-benzopyran-3-yl)ethanone is 57543-55-2.
What is the molecular formula of 1-(7-Methoxy-2H-1-benzopyran-3-yl)ethanone?
The molecular formula of 1-(7-Methoxy-2H-1-benzopyran-3-yl)ethanone is C12H12O3.
What is the molecular weight of 1-(7-Methoxy-2H-1-benzopyran-3-yl)ethanone?
The molecular weight of 1-(7-Methoxy-2H-1-benzopyran-3-yl)ethanone is 204.08 g/mol.
Where can I buy 1-(7-Methoxy-2H-1-benzopyran-3-yl)ethanone?
You can request a quote for 1-(7-Methoxy-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-(7-Methoxy-2H-1-benzopyran-3-yl)ethanone?
Yes, KEHONG BIO provides custom synthesis services for 1-(7-Methoxy-2H-1-benzopyran-3-yl)ethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.