Ketone, 7-hydroxy-5-methoxy-2,2-dimethyl-8-chromanyl methyl
TL;DR: Ketone, 7-hydroxy-5-methoxy-2,2-dimethyl-8-chromanyl methyl (CAS 4655-89-4) is a chemical compound with molecular formula C14H18O4 and molecular weight 250.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(7-hydroxy-5-methoxy-2,2-dimethyl-3,4-dihydrochromen-8-yl)ethanone
Also Known As: Dihydroalloevodionol, Ketone, 7-hydroxy-5-methoxy-2,2-dimethyl-8-chromanyl methyl, 3,4-Dihydro-2,2-dimethyl-5-methoxy-8-acetyl-2H-1-benzopyran-7-ol, (7-Hydroxy-5-methoxy-2,2-dimethylchroman-8-yl)(methyl) ketone, Ethanone, 1-(3,4-dihydro-7-hydroxy-5-methoxy-2,2-dimethyl-2H-1-benzopyran-8-yl)-
| Molecular Formula | C14H18O4 |
|---|---|
| Molecular Weight | 250.12 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 55.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 250.12051 |
| Heavy Atoms | 18 |
| Complexity | 326.0 |
Chemical Identifiers
| CAS Number | 4655-89-4 |
|---|---|
| SMILES | CC(=O)C1=C2C(=C(C=C1O)OC)CCC(O2)(C)C |
| InChIKey | AHAKTWDQKQCQBM-UHFFFAOYSA-N |
Product Overview
Ketone, 7-hydroxy-5-methoxy-2,2-dimethyl-8-chromanyl methyl (CAS 4655-89-4), with molecular formula C14H18O4 and molecular weight 250.12 g/mol. IUPAC: 1-(7-hydroxy-5-methoxy-2,2-dimethyl-3,4-dihydrochromen-8-yl)ethanone.
Chemical Property Profile of Ketone, 7-hydroxy-5-methoxy-2,2-dimethyl-8-chromanyl methyl
Property Insights of Ketone, 7-hydroxy-5-methoxy-2,2-dimethyl-8-chromanyl methyl
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ketone, 7-hydroxy-5-methoxy-2,2-dimethyl-8-chromanyl methyl. With a topological polar surface area (TPSA) of 55.8 Ų, Ketone, 7-hydroxy-5-methoxy-2,2-dimethyl-8-chromanyl methyl exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ketone, 7-hydroxy-5-methoxy-2,2-dimethyl-8-chromanyl methyl has 1 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 Ketone, 7-hydroxy-5-methoxy-2,2-dimethyl-8-chromanyl methyl?
The CAS number of Ketone, 7-hydroxy-5-methoxy-2,2-dimethyl-8-chromanyl methyl is 4655-89-4.
What is the molecular formula of Ketone, 7-hydroxy-5-methoxy-2,2-dimethyl-8-chromanyl methyl?
The molecular formula of Ketone, 7-hydroxy-5-methoxy-2,2-dimethyl-8-chromanyl methyl is C14H18O4.
What is the molecular weight of Ketone, 7-hydroxy-5-methoxy-2,2-dimethyl-8-chromanyl methyl?
The molecular weight of Ketone, 7-hydroxy-5-methoxy-2,2-dimethyl-8-chromanyl methyl is 250.12 g/mol.
Where can I buy Ketone, 7-hydroxy-5-methoxy-2,2-dimethyl-8-chromanyl methyl?
You can request a quote for Ketone, 7-hydroxy-5-methoxy-2,2-dimethyl-8-chromanyl methyl directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ketone, 7-hydroxy-5-methoxy-2,2-dimethyl-8-chromanyl methyl?
Yes, KEHONG BIO provides custom synthesis services for Ketone, 7-hydroxy-5-methoxy-2,2-dimethyl-8-chromanyl methyl and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.