5-Chloro-8-hydroxy-6-methoxy-3-methyl-1H-2-benzopyran-1-one
TL;DR: 5-Chloro-8-hydroxy-6-methoxy-3-methyl-1H-2-benzopyran-1-one (CAS 55044-85-4) is a chemical compound with molecular formula C11H9ClO4 and molecular weight 240.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-chloro-8-hydroxy-6-methoxy-3-methylisochromen-1-one
Also Known As: 5-Chloro-8-hydroxy-6-methoxy-3-methyl-1H-2-benzopyran-1-one, 5-chloro-8-hydroxy-6-methox y-3-methylisocoumarin, 5-Chloro-8-hydroxy-6-methoxy-3-methyl-1H-isochromen-1-one, 1H-2-Benzopyran-1-one, 5-chloro-8-hydroxy-6-methoxy-3-methyl-, 5-chloro-8-hydroxy-6-methoxy-3-methylisochromen-1-one
| Molecular Formula | C11H9ClO4 |
|---|---|
| Molecular Weight | 240.02 g/mol |
| LogP | 2.46902 |
| Topological Polar Surface Area | 59.67 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 240.01894 |
| Heavy Atoms | 16 |
| Complexity | 615.3912 |
Chemical Identifiers
| CAS Number | 55044-85-4 |
|---|---|
| SMILES | CC1=CC2=C(C(=CC(=C2Cl)OC)O)C(=O)O1 |
Product Overview
5-Chloro-8-hydroxy-6-methoxy-3-methyl-1H-2-benzopyran-1-one (CAS 55044-85-4), with molecular formula C11H9ClO4 and molecular weight 240.02 g/mol. IUPAC: 5-chloro-8-hydroxy-6-methoxy-3-methylisochromen-1-one.
Chemical Property Profile of 5-Chloro-8-hydroxy-6-methoxy-3-methyl-1H-2-benzopyran-1-one
Property Insights of 5-Chloro-8-hydroxy-6-methoxy-3-methyl-1H-2-benzopyran-1-one
The XLogP value of 2.46902 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Chloro-8-hydroxy-6-methoxy-3-methyl-1H-2-benzopyran-1-one. With a topological polar surface area (TPSA) of 59.67 Ų, 5-Chloro-8-hydroxy-6-methoxy-3-methyl-1H-2-benzopyran-1-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-Chloro-8-hydroxy-6-methoxy-3-methyl-1H-2-benzopyran-1-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 5-Chloro-8-hydroxy-6-methoxy-3-methyl-1H-2-benzopyran-1-one?
The CAS number of 5-Chloro-8-hydroxy-6-methoxy-3-methyl-1H-2-benzopyran-1-one is 55044-85-4.
What is the molecular formula of 5-Chloro-8-hydroxy-6-methoxy-3-methyl-1H-2-benzopyran-1-one?
The molecular formula of 5-Chloro-8-hydroxy-6-methoxy-3-methyl-1H-2-benzopyran-1-one is C11H9ClO4.
What is the molecular weight of 5-Chloro-8-hydroxy-6-methoxy-3-methyl-1H-2-benzopyran-1-one?
The molecular weight of 5-Chloro-8-hydroxy-6-methoxy-3-methyl-1H-2-benzopyran-1-one is 240.02 g/mol.
Where can I buy 5-Chloro-8-hydroxy-6-methoxy-3-methyl-1H-2-benzopyran-1-one?
You can request a quote for 5-Chloro-8-hydroxy-6-methoxy-3-methyl-1H-2-benzopyran-1-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Chloro-8-hydroxy-6-methoxy-3-methyl-1H-2-benzopyran-1-one?
Yes, KEHONG BIO provides custom synthesis services for 5-Chloro-8-hydroxy-6-methoxy-3-methyl-1H-2-benzopyran-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.