1-(7,8-Dimethoxy-2H-1-benzopyran-3-yl)ethanone
TL;DR: 1-(7,8-Dimethoxy-2H-1-benzopyran-3-yl)ethanone (CAS 64466-50-8) is a chemical compound with molecular formula C13H14O4 and molecular weight 234.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(7,8-dimethoxy-2H-chromen-3-yl)ethanone
Also Known As: 1- ETHANONE, 1-(7,8-Dimethoxy-2H-1-benzopyran-3-yl)ethanone, 1-(7,8-dimethoxy-2H-chromen-3-yl)ethanone, 7,8-Dimethoxy-2H-1-benzopyran-3-yl methyl ketone, Ethanone, 1-(7,8-dimethoxy-2H-1-benzopyran-3-yl)-
| Molecular Formula | C13H14O4 |
|---|---|
| Molecular Weight | 234.09 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 44.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 234.0892 |
| Heavy Atoms | 17 |
| Complexity | 323.0 |
Chemical Identifiers
| CAS Number | 64466-50-8 |
|---|---|
| SMILES | CC(=O)C1=CC2=C(C(=C(C=C2)OC)OC)OC1 |
| InChIKey | VKYNEYMUAOYXPW-UHFFFAOYSA-N |
Product Overview
1-(7,8-Dimethoxy-2H-1-benzopyran-3-yl)ethanone (CAS 64466-50-8), with molecular formula C13H14O4 and molecular weight 234.09 g/mol. IUPAC: 1-(7,8-dimethoxy-2H-chromen-3-yl)ethanone.
Chemical Property Profile of 1-(7,8-Dimethoxy-2H-1-benzopyran-3-yl)ethanone
Property Insights of 1-(7,8-Dimethoxy-2H-1-benzopyran-3-yl)ethanone
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(7,8-Dimethoxy-2H-1-benzopyran-3-yl)ethanone. With a topological polar surface area (TPSA) of 44.8 Ų, 1-(7,8-Dimethoxy-2H-1-benzopyran-3-yl)ethanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(7,8-Dimethoxy-2H-1-benzopyran-3-yl)ethanone has 0 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 1-(7,8-Dimethoxy-2H-1-benzopyran-3-yl)ethanone?
The CAS number of 1-(7,8-Dimethoxy-2H-1-benzopyran-3-yl)ethanone is 64466-50-8.
What is the molecular formula of 1-(7,8-Dimethoxy-2H-1-benzopyran-3-yl)ethanone?
The molecular formula of 1-(7,8-Dimethoxy-2H-1-benzopyran-3-yl)ethanone is C13H14O4.
What is the molecular weight of 1-(7,8-Dimethoxy-2H-1-benzopyran-3-yl)ethanone?
The molecular weight of 1-(7,8-Dimethoxy-2H-1-benzopyran-3-yl)ethanone is 234.09 g/mol.
Where can I buy 1-(7,8-Dimethoxy-2H-1-benzopyran-3-yl)ethanone?
You can request a quote for 1-(7,8-Dimethoxy-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-(7,8-Dimethoxy-2H-1-benzopyran-3-yl)ethanone?
Yes, KEHONG BIO provides custom synthesis services for 1-(7,8-Dimethoxy-2H-1-benzopyran-3-yl)ethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.