3-(4-chloro-3,5-dimethylphenoxy)-7-hydroxy-4H-chromen-4-one
TL;DR: 3-(4-chloro-3,5-dimethylphenoxy)-7-hydroxy-4H-chromen-4-one (CAS 459415-65-7) is a chemical compound with molecular formula C17H13ClO4 and molecular weight 316.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(4-chloro-3,5-dimethylphenoxy)-7-hydroxychromen-4-one
Also Known As: 3-(4-chloro-3,5-dimethylphenoxy)-7-hydroxy-4H-chromen-4-one, 3-(4-chloro-3,5-dimethylphenoxy)-7-hydroxychromen-4-one, AP-906/42064727, 3-(4-chloro-3,5-dimethyl-phenoxy)-7-hydroxy-chromen-4-one
| Molecular Formula | C17H13ClO4 |
|---|---|
| Molecular Weight | 316.05 g/mol |
| LogP | 4.56114 |
| Topological Polar Surface Area | 59.67 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 316.05023 |
| Heavy Atoms | 22 |
| Complexity | 904.5756 |
Chemical Identifiers
| CAS Number | 459415-65-7 |
|---|---|
| SMILES | CC1=CC(=CC(=C1Cl)C)OC2=COC3=C(C2=O)C=CC(=C3)O |
Product Overview
3-(4-chloro-3,5-dimethylphenoxy)-7-hydroxy-4H-chromen-4-one (CAS 459415-65-7), with molecular formula C17H13ClO4 and molecular weight 316.05 g/mol. IUPAC: 3-(4-chloro-3,5-dimethylphenoxy)-7-hydroxychromen-4-one.
Chemical Property Profile of 3-(4-chloro-3,5-dimethylphenoxy)-7-hydroxy-4H-chromen-4-one
Property Insights of 3-(4-chloro-3,5-dimethylphenoxy)-7-hydroxy-4H-chromen-4-one
The XLogP value of 4.56114 indicates that 3-(4-chloro-3,5-dimethylphenoxy)-7-hydroxy-4H-chromen-4-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 59.67 Ų, 3-(4-chloro-3,5-dimethylphenoxy)-7-hydroxy-4H-chromen-4-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(4-chloro-3,5-dimethylphenoxy)-7-hydroxy-4H-chromen-4-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 3-(4-chloro-3,5-dimethylphenoxy)-7-hydroxy-4H-chromen-4-one?
The CAS number of 3-(4-chloro-3,5-dimethylphenoxy)-7-hydroxy-4H-chromen-4-one is 459415-65-7.
What is the molecular formula of 3-(4-chloro-3,5-dimethylphenoxy)-7-hydroxy-4H-chromen-4-one?
The molecular formula of 3-(4-chloro-3,5-dimethylphenoxy)-7-hydroxy-4H-chromen-4-one is C17H13ClO4.
What is the molecular weight of 3-(4-chloro-3,5-dimethylphenoxy)-7-hydroxy-4H-chromen-4-one?
The molecular weight of 3-(4-chloro-3,5-dimethylphenoxy)-7-hydroxy-4H-chromen-4-one is 316.05 g/mol.
Where can I buy 3-(4-chloro-3,5-dimethylphenoxy)-7-hydroxy-4H-chromen-4-one?
You can request a quote for 3-(4-chloro-3,5-dimethylphenoxy)-7-hydroxy-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 3-(4-chloro-3,5-dimethylphenoxy)-7-hydroxy-4H-chromen-4-one?
Yes, KEHONG BIO provides custom synthesis services for 3-(4-chloro-3,5-dimethylphenoxy)-7-hydroxy-4H-chromen-4-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.