6-chloro-3-ethyl-7-hydroxy-4-methyl-2H-chromen-2-one
TL;DR: 6-chloro-3-ethyl-7-hydroxy-4-methyl-2H-chromen-2-one (CAS 854002-77-0) is a chemical compound with molecular formula C12H11ClO3 and molecular weight 238.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-chloro-3-ethyl-7-hydroxy-4-methylchromen-2-one
Also Known As: 6-chloro-3-ethyl-7-hydroxy-4-methyl-2H-chromen-2-one, 6-chloro-3-ethyl-7-hydroxy-4-methylchromen-2-one
| Molecular Formula | C12H11ClO3 |
|---|---|
| Molecular Weight | 238.04 g/mol |
| LogP | 3.02282 |
| Topological Polar Surface Area | 50.44 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 238.03967 |
| Heavy Atoms | 16 |
| Complexity | 613.6705 |
Chemical Identifiers
| CAS Number | 854002-77-0 |
|---|---|
| SMILES | CCC1=C(C2=CC(=C(C=C2OC1=O)O)Cl)C |
Product Overview
6-chloro-3-ethyl-7-hydroxy-4-methyl-2H-chromen-2-one (CAS 854002-77-0), with molecular formula C12H11ClO3 and molecular weight 238.04 g/mol. IUPAC: 6-chloro-3-ethyl-7-hydroxy-4-methylchromen-2-one.
Chemical Property Profile of 6-chloro-3-ethyl-7-hydroxy-4-methyl-2H-chromen-2-one
Property Insights of 6-chloro-3-ethyl-7-hydroxy-4-methyl-2H-chromen-2-one
The XLogP value of 3.02282 indicates that 6-chloro-3-ethyl-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, 6-chloro-3-ethyl-7-hydroxy-4-methyl-2H-chromen-2-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 6-chloro-3-ethyl-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 6-chloro-3-ethyl-7-hydroxy-4-methyl-2H-chromen-2-one?
The CAS number of 6-chloro-3-ethyl-7-hydroxy-4-methyl-2H-chromen-2-one is 854002-77-0.
What is the molecular formula of 6-chloro-3-ethyl-7-hydroxy-4-methyl-2H-chromen-2-one?
The molecular formula of 6-chloro-3-ethyl-7-hydroxy-4-methyl-2H-chromen-2-one is C12H11ClO3.
What is the molecular weight of 6-chloro-3-ethyl-7-hydroxy-4-methyl-2H-chromen-2-one?
The molecular weight of 6-chloro-3-ethyl-7-hydroxy-4-methyl-2H-chromen-2-one is 238.04 g/mol.
Where can I buy 6-chloro-3-ethyl-7-hydroxy-4-methyl-2H-chromen-2-one?
You can request a quote for 6-chloro-3-ethyl-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 6-chloro-3-ethyl-7-hydroxy-4-methyl-2H-chromen-2-one?
Yes, KEHONG BIO provides custom synthesis services for 6-chloro-3-ethyl-7-hydroxy-4-methyl-2H-chromen-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.