6,8-Dichloro-3-methylchromone
TL;DR: 6,8-Dichloro-3-methylchromone (CAS 57645-95-1) is a chemical compound with molecular formula C10H6Cl2O2 and molecular weight 227.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6,8-dichloro-3-methylchromen-4-one
Also Known As: 6,8-Dichloro-3-methylchromone, 6,8-dichloro-3-methyl-4H-chromen-4-one, 6,8-dichloro-3-methylchromen-4-one, 6,8-dichloro-3-methyl-chromen-4-one, 6,8-Dichloro-3-methylchromone, 97%
| Molecular Formula | C10H6Cl2O2 |
|---|---|
| Molecular Weight | 227.97 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 227.97449 |
| Heavy Atoms | 14 |
| Complexity | 288.0 |
Chemical Identifiers
| CAS Number | 57645-95-1 |
|---|---|
| SMILES | CC1=COC2=C(C1=O)C=C(C=C2Cl)Cl |
| InChIKey | PDDRNWBKVYJALI-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
6,8-Dichloro-3-methylchromone (CAS 57645-95-1), with molecular formula C10H6Cl2O2 and molecular weight 227.97 g/mol. IUPAC: 6,8-dichloro-3-methylchromen-4-one.
Chemical Property Profile of 6,8-Dichloro-3-methylchromone
Property Insights of 6,8-Dichloro-3-methylchromone
The XLogP value of 3.2 indicates that 6,8-Dichloro-3-methylchromone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, 6,8-Dichloro-3-methylchromone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 6,8-Dichloro-3-methylchromone has 0 hydrogen bond donor(s) and 2 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 6,8-Dichloro-3-methylchromone?
The CAS number of 6,8-Dichloro-3-methylchromone is 57645-95-1.
What is the molecular formula of 6,8-Dichloro-3-methylchromone?
The molecular formula of 6,8-Dichloro-3-methylchromone is C10H6Cl2O2.
What is the molecular weight of 6,8-Dichloro-3-methylchromone?
The molecular weight of 6,8-Dichloro-3-methylchromone is 227.97 g/mol.
Where can I buy 6,8-Dichloro-3-methylchromone?
You can request a quote for 6,8-Dichloro-3-methylchromone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6,8-Dichloro-3-methylchromone?
Yes, KEHONG BIO provides custom synthesis services for 6,8-Dichloro-3-methylchromone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.