2H-1-Benzopyran-2-one, 3-chloro-7-methoxy-4-methyl-
TL;DR: 2H-1-Benzopyran-2-one, 3-chloro-7-methoxy-4-methyl- (CAS 28045-90-1) is a chemical compound with molecular formula C11H9ClO3 and molecular weight 224.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-chloro-7-methoxy-4-methylchromen-2-one
Also Known As: 3-Chloro-7-methoxy-4-methylcoumarin, 2H-1-Benzopyran-2-one, 3-chloro-7-methoxy-4-methyl-, 3-chloro-7-methoxy-4-methylchromen-2-one, 3-Chloro-4-methyl-7-methoxycoumarin, Hymecromone-methylether, derivative of
| Molecular Formula | C11H9ClO3 |
|---|---|
| Molecular Weight | 224.02 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 35.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 224.02402 |
| Heavy Atoms | 15 |
| Complexity | 311.0 |
Chemical Identifiers
| CAS Number | 28045-90-1 |
|---|---|
| SMILES | CC1=C(C(=O)OC2=C1C=CC(=C2)OC)Cl |
| InChIKey | AEMKPSYXSVLTAJ-UHFFFAOYSA-N |
Product Overview
2H-1-Benzopyran-2-one, 3-chloro-7-methoxy-4-methyl- (CAS 28045-90-1), with molecular formula C11H9ClO3 and molecular weight 224.02 g/mol. IUPAC: 3-chloro-7-methoxy-4-methylchromen-2-one.
Chemical Property Profile of 2H-1-Benzopyran-2-one, 3-chloro-7-methoxy-4-methyl-
Property Insights of 2H-1-Benzopyran-2-one, 3-chloro-7-methoxy-4-methyl-
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2H-1-Benzopyran-2-one, 3-chloro-7-methoxy-4-methyl-. With a topological polar surface area (TPSA) of 35.5 Ų, 2H-1-Benzopyran-2-one, 3-chloro-7-methoxy-4-methyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2H-1-Benzopyran-2-one, 3-chloro-7-methoxy-4-methyl- has 0 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 2H-1-Benzopyran-2-one, 3-chloro-7-methoxy-4-methyl-?
The CAS number of 2H-1-Benzopyran-2-one, 3-chloro-7-methoxy-4-methyl- is 28045-90-1.
What is the molecular formula of 2H-1-Benzopyran-2-one, 3-chloro-7-methoxy-4-methyl-?
The molecular formula of 2H-1-Benzopyran-2-one, 3-chloro-7-methoxy-4-methyl- is C11H9ClO3.
What is the molecular weight of 2H-1-Benzopyran-2-one, 3-chloro-7-methoxy-4-methyl-?
The molecular weight of 2H-1-Benzopyran-2-one, 3-chloro-7-methoxy-4-methyl- is 224.02 g/mol.
Where can I buy 2H-1-Benzopyran-2-one, 3-chloro-7-methoxy-4-methyl-?
You can request a quote for 2H-1-Benzopyran-2-one, 3-chloro-7-methoxy-4-methyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2H-1-Benzopyran-2-one, 3-chloro-7-methoxy-4-methyl-?
Yes, KEHONG BIO provides custom synthesis services for 2H-1-Benzopyran-2-one, 3-chloro-7-methoxy-4-methyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.