3-butanoyl-7-hydroxy-2H-chromen-2-one
TL;DR: 3-butanoyl-7-hydroxy-2H-chromen-2-one (CAS 19491-89-5) 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.
3-butanoyl-7-hydroxychromen-2-one
Also Known As: 3-butanoyl-7-hydroxy-2H-chromen-2-one, 3-butyryl-7-hydroxycoumarin, 3-butyryl-7-hydroxy-2H-chromen-2-one, 3-butanoyl-7-hydroxy-chromen-2-one, 3-BUTANOYL-7-HYDROXYCHROMEN-2-ONE
| Molecular Formula | C13H12O4 |
|---|---|
| Molecular Weight | 232.07 g/mol |
| LogP | 2.4814 |
| Topological Polar Surface Area | 67.51 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 232.07356 |
| Heavy Atoms | 17 |
| Complexity | 624.84235 |
Chemical Identifiers
| CAS Number | 19491-89-5 |
|---|---|
| SMILES | CCCC(=O)C1=CC2=C(C=C(C=C2)O)OC1=O |
Product Overview
3-butanoyl-7-hydroxy-2H-chromen-2-one (CAS 19491-89-5), with molecular formula C13H12O4 and molecular weight 232.07 g/mol. IUPAC: 3-butanoyl-7-hydroxychromen-2-one.
Chemical Property Profile of 3-butanoyl-7-hydroxy-2H-chromen-2-one
Property Insights of 3-butanoyl-7-hydroxy-2H-chromen-2-one
The XLogP value of 2.4814 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-butanoyl-7-hydroxy-2H-chromen-2-one. The TPSA of 67.51 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-butanoyl-7-hydroxy-2H-chromen-2-one. Following Lipinski's Rule of Five, 3-butanoyl-7-hydroxy-2H-chromen-2-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 3-butanoyl-7-hydroxy-2H-chromen-2-one?
The CAS number of 3-butanoyl-7-hydroxy-2H-chromen-2-one is 19491-89-5.
What is the molecular formula of 3-butanoyl-7-hydroxy-2H-chromen-2-one?
The molecular formula of 3-butanoyl-7-hydroxy-2H-chromen-2-one is C13H12O4.
What is the molecular weight of 3-butanoyl-7-hydroxy-2H-chromen-2-one?
The molecular weight of 3-butanoyl-7-hydroxy-2H-chromen-2-one is 232.07 g/mol.
Where can I buy 3-butanoyl-7-hydroxy-2H-chromen-2-one?
You can request a quote for 3-butanoyl-7-hydroxy-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 3-butanoyl-7-hydroxy-2H-chromen-2-one?
Yes, KEHONG BIO provides custom synthesis services for 3-butanoyl-7-hydroxy-2H-chromen-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.