6-((dimethylamino)methyl)-7-hydroxy-4,8-dimethyl-2H-chromen-2-one
TL;DR: 6-((dimethylamino)methyl)-7-hydroxy-4,8-dimethyl-2H-chromen-2-one (CAS 96567-68-9) is a chemical compound with molecular formula C14H17NO3 and molecular weight 247.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-[(dimethylamino)methyl]-7-hydroxy-4,8-dimethylchromen-2-one
Also Known As: 6-((dimethylamino)methyl)-7-hydroxy-4,8-dimethyl-2H-chromen-2-one, 6-(dimethylaminomethyl)-7-hydroxy-4,8-dimethyl-chromen-2-one, 6-(dimethylaminomethyl)-7-hydroxy-4,8-dimethylchromen-2-one
| Molecular Formula | C14H17NO3 |
|---|---|
| Molecular Weight | 247.12 g/mol |
| LogP | 2.17704 |
| Topological Polar Surface Area | 53.68 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 247.12085 |
| Heavy Atoms | 18 |
| Complexity | 656.1172 |
Chemical Identifiers
| CAS Number | 96567-68-9 |
|---|---|
| SMILES | CC1=CC(=O)OC2=C1C=C(C(=C2C)O)CN(C)C |
Product Overview
6-((dimethylamino)methyl)-7-hydroxy-4,8-dimethyl-2H-chromen-2-one (CAS 96567-68-9), with molecular formula C14H17NO3 and molecular weight 247.12 g/mol. IUPAC: 6-[(dimethylamino)methyl]-7-hydroxy-4,8-dimethylchromen-2-one.
Chemical Property Profile of 6-((dimethylamino)methyl)-7-hydroxy-4,8-dimethyl-2H-chromen-2-one
Property Insights of 6-((dimethylamino)methyl)-7-hydroxy-4,8-dimethyl-2H-chromen-2-one
The XLogP value of 2.17704 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-((dimethylamino)methyl)-7-hydroxy-4,8-dimethyl-2H-chromen-2-one. With a topological polar surface area (TPSA) of 53.68 Ų, 6-((dimethylamino)methyl)-7-hydroxy-4,8-dimethyl-2H-chromen-2-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 6-((dimethylamino)methyl)-7-hydroxy-4,8-dimethyl-2H-chromen-2-one 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 6-((dimethylamino)methyl)-7-hydroxy-4,8-dimethyl-2H-chromen-2-one?
The CAS number of 6-((dimethylamino)methyl)-7-hydroxy-4,8-dimethyl-2H-chromen-2-one is 96567-68-9.
What is the molecular formula of 6-((dimethylamino)methyl)-7-hydroxy-4,8-dimethyl-2H-chromen-2-one?
The molecular formula of 6-((dimethylamino)methyl)-7-hydroxy-4,8-dimethyl-2H-chromen-2-one is C14H17NO3.
What is the molecular weight of 6-((dimethylamino)methyl)-7-hydroxy-4,8-dimethyl-2H-chromen-2-one?
The molecular weight of 6-((dimethylamino)methyl)-7-hydroxy-4,8-dimethyl-2H-chromen-2-one is 247.12 g/mol.
Where can I buy 6-((dimethylamino)methyl)-7-hydroxy-4,8-dimethyl-2H-chromen-2-one?
You can request a quote for 6-((dimethylamino)methyl)-7-hydroxy-4,8-dimethyl-2H-chromen-2-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-((dimethylamino)methyl)-7-hydroxy-4,8-dimethyl-2H-chromen-2-one?
Yes, KEHONG BIO provides custom synthesis services for 6-((dimethylamino)methyl)-7-hydroxy-4,8-dimethyl-2H-chromen-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.