6-Chloro-7-hydroxy-2,2-dimethyl-2,3-dihydro-4H-chromen-4-one
TL;DR: 6-Chloro-7-hydroxy-2,2-dimethyl-2,3-dihydro-4H-chromen-4-one (CAS 50544-46-2) is a chemical compound with molecular formula C11H11ClO3 and molecular weight 226.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-chloro-7-hydroxy-2,2-dimethyl-3H-chromen-4-one
Also Known As: 6-chloro-7-hydroxy-2,2-dimethyl-3H-chromen-4-one, 6-chloro-7-hydroxy-2,2-dimethyl-4-chromanone, 6-chloro-7-hydroxy-2,2-dimethylchroman-4-one, 6-CHLORO-7-HYDROXY-2,2-DIMETHYL-2,3-DIHYDRO-4H-CHROMEN-4-ONE
| Molecular Formula | C11H11ClO3 |
|---|---|
| Molecular Weight | 226.04 g/mol |
| LogP | 2.7894 |
| Topological Polar Surface Area | 46.53 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 226.03967 |
| Heavy Atoms | 15 |
| Complexity | 437.7043 |
Chemical Identifiers
| CAS Number | 50544-46-2 |
|---|---|
| SMILES | CC1(CC(=O)C2=CC(=C(C=C2O1)O)Cl)C |
Product Overview
6-Chloro-7-hydroxy-2,2-dimethyl-2,3-dihydro-4H-chromen-4-one (CAS 50544-46-2), with molecular formula C11H11ClO3 and molecular weight 226.04 g/mol. IUPAC: 6-chloro-7-hydroxy-2,2-dimethyl-3H-chromen-4-one.
Chemical Property Profile of 6-Chloro-7-hydroxy-2,2-dimethyl-2,3-dihydro-4H-chromen-4-one
Property Insights of 6-Chloro-7-hydroxy-2,2-dimethyl-2,3-dihydro-4H-chromen-4-one
The XLogP value of 2.7894 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-Chloro-7-hydroxy-2,2-dimethyl-2,3-dihydro-4H-chromen-4-one. With a topological polar surface area (TPSA) of 46.53 Ų, 6-Chloro-7-hydroxy-2,2-dimethyl-2,3-dihydro-4H-chromen-4-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 6-Chloro-7-hydroxy-2,2-dimethyl-2,3-dihydro-4H-chromen-4-one has 1 hydrogen bond donor(s) and 3 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-Chloro-7-hydroxy-2,2-dimethyl-2,3-dihydro-4H-chromen-4-one?
The CAS number of 6-Chloro-7-hydroxy-2,2-dimethyl-2,3-dihydro-4H-chromen-4-one is 50544-46-2.
What is the molecular formula of 6-Chloro-7-hydroxy-2,2-dimethyl-2,3-dihydro-4H-chromen-4-one?
The molecular formula of 6-Chloro-7-hydroxy-2,2-dimethyl-2,3-dihydro-4H-chromen-4-one is C11H11ClO3.
What is the molecular weight of 6-Chloro-7-hydroxy-2,2-dimethyl-2,3-dihydro-4H-chromen-4-one?
The molecular weight of 6-Chloro-7-hydroxy-2,2-dimethyl-2,3-dihydro-4H-chromen-4-one is 226.04 g/mol.
Where can I buy 6-Chloro-7-hydroxy-2,2-dimethyl-2,3-dihydro-4H-chromen-4-one?
You can request a quote for 6-Chloro-7-hydroxy-2,2-dimethyl-2,3-dihydro-4H-chromen-4-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-Chloro-7-hydroxy-2,2-dimethyl-2,3-dihydro-4H-chromen-4-one?
Yes, KEHONG BIO provides custom synthesis services for 6-Chloro-7-hydroxy-2,2-dimethyl-2,3-dihydro-4H-chromen-4-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.