2H-1-Benzopyran-2-one, 7-hydroxy-4-methyl-8-(1-oxopropyl)-
TL;DR: 2H-1-Benzopyran-2-one, 7-hydroxy-4-methyl-8-(1-oxopropyl)- (CAS 3361-71-5) is a chemical compound with molecular formula C13H12O4 and molecular weight 232.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-hydroxy-4-methyl-8-propanoylchromen-2-one
Also Known As: 7-hydroxy-4-methyl-8-propionyl-2H-chromen-2-one, 7-hydroxy-4-methyl-8-propanoylchromen-2-one, 7-hydroxy-4-methyl-8-propionylcoumarin, 7-hydroxy-4-methyl-8-propionyl-coumarin, 2H-1-Benzopyran-2-one, 7-hydroxy-4-methyl-8-(1-oxopropyl)-
| Molecular Formula | C13H12O4 |
|---|---|
| Molecular Weight | 232.07 g/mol |
| LogP | 2.39972 |
| Topological Polar Surface Area | 67.51 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 232.07356 |
| Heavy Atoms | 17 |
| Complexity | 652.25244 |
Chemical Identifiers
| CAS Number | 3361-71-5 |
|---|---|
| SMILES | CCC(=O)C1=C(C=CC2=C1OC(=O)C=C2C)O |
Product Overview
2H-1-Benzopyran-2-one, 7-hydroxy-4-methyl-8-(1-oxopropyl)- (CAS 3361-71-5), with molecular formula C13H12O4 and molecular weight 232.07 g/mol. IUPAC: 7-hydroxy-4-methyl-8-propanoylchromen-2-one.
Chemical Property Profile of 2H-1-Benzopyran-2-one, 7-hydroxy-4-methyl-8-(1-oxopropyl)-
Property Insights of 2H-1-Benzopyran-2-one, 7-hydroxy-4-methyl-8-(1-oxopropyl)-
The XLogP value of 2.39972 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2H-1-Benzopyran-2-one, 7-hydroxy-4-methyl-8-(1-oxopropyl)-. The TPSA of 67.51 Ų falls within the moderate polarity range, balancing permeability and solubility for 2H-1-Benzopyran-2-one, 7-hydroxy-4-methyl-8-(1-oxopropyl)-. Following Lipinski's Rule of Five, 2H-1-Benzopyran-2-one, 7-hydroxy-4-methyl-8-(1-oxopropyl)- 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 2H-1-Benzopyran-2-one, 7-hydroxy-4-methyl-8-(1-oxopropyl)-?
The CAS number of 2H-1-Benzopyran-2-one, 7-hydroxy-4-methyl-8-(1-oxopropyl)- is 3361-71-5.
What is the molecular formula of 2H-1-Benzopyran-2-one, 7-hydroxy-4-methyl-8-(1-oxopropyl)-?
The molecular formula of 2H-1-Benzopyran-2-one, 7-hydroxy-4-methyl-8-(1-oxopropyl)- is C13H12O4.
What is the molecular weight of 2H-1-Benzopyran-2-one, 7-hydroxy-4-methyl-8-(1-oxopropyl)-?
The molecular weight of 2H-1-Benzopyran-2-one, 7-hydroxy-4-methyl-8-(1-oxopropyl)- is 232.07 g/mol.
Where can I buy 2H-1-Benzopyran-2-one, 7-hydroxy-4-methyl-8-(1-oxopropyl)-?
You can request a quote for 2H-1-Benzopyran-2-one, 7-hydroxy-4-methyl-8-(1-oxopropyl)- 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, 7-hydroxy-4-methyl-8-(1-oxopropyl)-?
Yes, KEHONG BIO provides custom synthesis services for 2H-1-Benzopyran-2-one, 7-hydroxy-4-methyl-8-(1-oxopropyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.