1-(5,7,8-Trimethoxy-2,2-dimethyl-2H-1-benzopyran-6-yl)ethanone
TL;DR: 1-(5,7,8-Trimethoxy-2,2-dimethyl-2H-1-benzopyran-6-yl)ethanone (CAS 482-07-5) is a chemical compound with molecular formula C16H20O5 and molecular weight 292.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(5,7,8-trimethoxy-2,2-dimethylchromen-6-yl)ethanone
Also Known As: Evodione, 1-(5,7,8-Trimethoxy-2,2-dimethyl-2H-1-benzopyran-6-yl)ethanone, 2,2-Dimethyl-5,7,8-trimethoxy-6-acetyl-2H-1-benzopyran, Ethanone, 1-(5,7,8-trimethoxy-2,2-dimethyl-2H-1-benzopyran-6-yl)-, 1-(5,7,8-Trimethoxy-2,2-dimethyl-2H-chromen-6-yl)ethan-1-one
| Molecular Formula | C16H20O5 |
|---|---|
| Molecular Weight | 292.13 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 54.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 292.13107 |
| Heavy Atoms | 21 |
| Complexity | 417.0 |
Chemical Identifiers
| CAS Number | 482-07-5 |
|---|---|
| SMILES | CC(=O)C1=C(C2=C(C(=C1OC)OC)OC(C=C2)(C)C)OC |
| InChIKey | NIRIGVIWLIYHJU-UHFFFAOYSA-N |
Product Overview
1-(5,7,8-Trimethoxy-2,2-dimethyl-2H-1-benzopyran-6-yl)ethanone (CAS 482-07-5), with molecular formula C16H20O5 and molecular weight 292.13 g/mol. IUPAC: 1-(5,7,8-trimethoxy-2,2-dimethylchromen-6-yl)ethanone.
Chemical Property Profile of 1-(5,7,8-Trimethoxy-2,2-dimethyl-2H-1-benzopyran-6-yl)ethanone
Property Insights of 1-(5,7,8-Trimethoxy-2,2-dimethyl-2H-1-benzopyran-6-yl)ethanone
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(5,7,8-Trimethoxy-2,2-dimethyl-2H-1-benzopyran-6-yl)ethanone. With a topological polar surface area (TPSA) of 54.0 Ų, 1-(5,7,8-Trimethoxy-2,2-dimethyl-2H-1-benzopyran-6-yl)ethanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(5,7,8-Trimethoxy-2,2-dimethyl-2H-1-benzopyran-6-yl)ethanone has 0 hydrogen bond donor(s) and 5 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-(5,7,8-Trimethoxy-2,2-dimethyl-2H-1-benzopyran-6-yl)ethanone?
The CAS number of 1-(5,7,8-Trimethoxy-2,2-dimethyl-2H-1-benzopyran-6-yl)ethanone is 482-07-5.
What is the molecular formula of 1-(5,7,8-Trimethoxy-2,2-dimethyl-2H-1-benzopyran-6-yl)ethanone?
The molecular formula of 1-(5,7,8-Trimethoxy-2,2-dimethyl-2H-1-benzopyran-6-yl)ethanone is C16H20O5.
What is the molecular weight of 1-(5,7,8-Trimethoxy-2,2-dimethyl-2H-1-benzopyran-6-yl)ethanone?
The molecular weight of 1-(5,7,8-Trimethoxy-2,2-dimethyl-2H-1-benzopyran-6-yl)ethanone is 292.13 g/mol.
Where can I buy 1-(5,7,8-Trimethoxy-2,2-dimethyl-2H-1-benzopyran-6-yl)ethanone?
You can request a quote for 1-(5,7,8-Trimethoxy-2,2-dimethyl-2H-1-benzopyran-6-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-(5,7,8-Trimethoxy-2,2-dimethyl-2H-1-benzopyran-6-yl)ethanone?
Yes, KEHONG BIO provides custom synthesis services for 1-(5,7,8-Trimethoxy-2,2-dimethyl-2H-1-benzopyran-6-yl)ethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.