3,6-dichloro-7-hydroxy-4-methyl-2H-chromen-2-one
TL;DR: 3,6-dichloro-7-hydroxy-4-methyl-2H-chromen-2-one (CAS 53391-75-6) is a chemical compound with molecular formula C10H6Cl2O3 and molecular weight 243.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,6-dichloro-7-hydroxy-4-methylchromen-2-one
Also Known As: 3,6-dichloro-7-hydroxy-4-methyl-2H-chromen-2-one, 3,6-dichloro-7-hydroxy-4-methylchromen-2-one, BAS 00872334, 3,6-Dichloro-7-hydroxy-4-methyl-chromen-2-one, 3-Chloro-4-methyl-6-chloro-7-hydroxycoumarin
| Molecular Formula | C10H6Cl2O3 |
|---|---|
| Molecular Weight | 243.97 g/mol |
| LogP | 3.11382 |
| Topological Polar Surface Area | 50.44 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 243.9694 |
| Heavy Atoms | 15 |
| Complexity | 601.6195 |
Chemical Identifiers
| CAS Number | 53391-75-6 |
|---|---|
| SMILES | CC1=C(C(=O)OC2=CC(=C(C=C12)Cl)O)Cl |
Product Overview
3,6-dichloro-7-hydroxy-4-methyl-2H-chromen-2-one (CAS 53391-75-6), with molecular formula C10H6Cl2O3 and molecular weight 243.97 g/mol. IUPAC: 3,6-dichloro-7-hydroxy-4-methylchromen-2-one.
Chemical Property Profile of 3,6-dichloro-7-hydroxy-4-methyl-2H-chromen-2-one
Property Insights of 3,6-dichloro-7-hydroxy-4-methyl-2H-chromen-2-one
The XLogP value of 3.11382 indicates that 3,6-dichloro-7-hydroxy-4-methyl-2H-chromen-2-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 50.44 Ų, 3,6-dichloro-7-hydroxy-4-methyl-2H-chromen-2-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,6-dichloro-7-hydroxy-4-methyl-2H-chromen-2-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 3,6-dichloro-7-hydroxy-4-methyl-2H-chromen-2-one?
The CAS number of 3,6-dichloro-7-hydroxy-4-methyl-2H-chromen-2-one is 53391-75-6.
What is the molecular formula of 3,6-dichloro-7-hydroxy-4-methyl-2H-chromen-2-one?
The molecular formula of 3,6-dichloro-7-hydroxy-4-methyl-2H-chromen-2-one is C10H6Cl2O3.
What is the molecular weight of 3,6-dichloro-7-hydroxy-4-methyl-2H-chromen-2-one?
The molecular weight of 3,6-dichloro-7-hydroxy-4-methyl-2H-chromen-2-one is 243.97 g/mol.
Where can I buy 3,6-dichloro-7-hydroxy-4-methyl-2H-chromen-2-one?
You can request a quote for 3,6-dichloro-7-hydroxy-4-methyl-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 3,6-dichloro-7-hydroxy-4-methyl-2H-chromen-2-one?
Yes, KEHONG BIO provides custom synthesis services for 3,6-dichloro-7-hydroxy-4-methyl-2H-chromen-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.