Ethanone, 1-(5,8-dimethoxy-2H-1-benzopyran-3-yl)-
TL;DR: Ethanone, 1-(5,8-dimethoxy-2H-1-benzopyran-3-yl)- (CAS 64466-49-5) 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-(5,8-dimethoxy-2H-chromen-3-yl)ethanone
Also Known As: 1-(5,8-Dimethoxy-2H-1-benzopyran-3-yl)ethanone, 5,8-Dimethoxy-2H-1-benzopyran-3-yl methyl ketone, 5-18-03-00253 (Beilstein Handbook Reference), Ethanone, 1-(5,8-dimethoxy-2H-1-benzopyran-3-yl)-, 1-(5,8-dimethoxy-2H-chromen-3-yl)ethanone
| 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 | 64466-49-5 |
|---|---|
| SMILES | CC(=O)C1=CC2=C(C=CC(=C2OC1)OC)OC |
| InChIKey | SUBGAQTXBVGPFA-UHFFFAOYSA-N |
Product Overview
Ethanone, 1-(5,8-dimethoxy-2H-1-benzopyran-3-yl)- (CAS 64466-49-5), with molecular formula C13H14O4 and molecular weight 234.09 g/mol. IUPAC: 1-(5,8-dimethoxy-2H-chromen-3-yl)ethanone.
Chemical Property Profile of Ethanone, 1-(5,8-dimethoxy-2H-1-benzopyran-3-yl)-
Property Insights of Ethanone, 1-(5,8-dimethoxy-2H-1-benzopyran-3-yl)-
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethanone, 1-(5,8-dimethoxy-2H-1-benzopyran-3-yl)-. With a topological polar surface area (TPSA) of 44.8 Ų, Ethanone, 1-(5,8-dimethoxy-2H-1-benzopyran-3-yl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethanone, 1-(5,8-dimethoxy-2H-1-benzopyran-3-yl)- 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 Ethanone, 1-(5,8-dimethoxy-2H-1-benzopyran-3-yl)-?
The CAS number of Ethanone, 1-(5,8-dimethoxy-2H-1-benzopyran-3-yl)- is 64466-49-5.
What is the molecular formula of Ethanone, 1-(5,8-dimethoxy-2H-1-benzopyran-3-yl)-?
The molecular formula of Ethanone, 1-(5,8-dimethoxy-2H-1-benzopyran-3-yl)- is C13H14O4.
What is the molecular weight of Ethanone, 1-(5,8-dimethoxy-2H-1-benzopyran-3-yl)-?
The molecular weight of Ethanone, 1-(5,8-dimethoxy-2H-1-benzopyran-3-yl)- is 234.09 g/mol.
Where can I buy Ethanone, 1-(5,8-dimethoxy-2H-1-benzopyran-3-yl)-?
You can request a quote for Ethanone, 1-(5,8-dimethoxy-2H-1-benzopyran-3-yl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethanone, 1-(5,8-dimethoxy-2H-1-benzopyran-3-yl)-?
Yes, KEHONG BIO provides custom synthesis services for Ethanone, 1-(5,8-dimethoxy-2H-1-benzopyran-3-yl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.