2-Cyclobutyl-7-hydroxy-3-methyl-4H-1-benzopyran-4-one
TL;DR: 2-Cyclobutyl-7-hydroxy-3-methyl-4H-1-benzopyran-4-one (CAS 62811-52-3) is a chemical compound with molecular formula C14H14O3 and molecular weight 230.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-cyclobutyl-7-hydroxy-3-methylchromen-4-one
Also Known As: 2-cyclobutyl-7-hydroxy-3-methylchromen-4-one, 2-Cyclobutyl-7-hydroxy-3-methyl-4H-1-benzopyran-4-one, 2-cyclobutyl-7-hydroxy-3-methyl-4H-chromen-4-one
| Molecular Formula | C14H14O3 |
|---|---|
| Molecular Weight | 230.09 g/mol |
| LogP | 3.07452 |
| Topological Polar Surface Area | 50.44 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 230.0943 |
| Heavy Atoms | 17 |
| Complexity | 635.69275 |
Chemical Identifiers
| CAS Number | 62811-52-3 |
|---|---|
| SMILES | CC1=C(OC2=C(C1=O)C=CC(=C2)O)C3CCC3 |
Product Overview
2-Cyclobutyl-7-hydroxy-3-methyl-4H-1-benzopyran-4-one (CAS 62811-52-3), with molecular formula C14H14O3 and molecular weight 230.09 g/mol. IUPAC: 2-cyclobutyl-7-hydroxy-3-methylchromen-4-one.
Chemical Property Profile of 2-Cyclobutyl-7-hydroxy-3-methyl-4H-1-benzopyran-4-one
Property Insights of 2-Cyclobutyl-7-hydroxy-3-methyl-4H-1-benzopyran-4-one
The XLogP value of 3.07452 indicates that 2-Cyclobutyl-7-hydroxy-3-methyl-4H-1-benzopyran-4-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, 2-Cyclobutyl-7-hydroxy-3-methyl-4H-1-benzopyran-4-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Cyclobutyl-7-hydroxy-3-methyl-4H-1-benzopyran-4-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 2-Cyclobutyl-7-hydroxy-3-methyl-4H-1-benzopyran-4-one?
The CAS number of 2-Cyclobutyl-7-hydroxy-3-methyl-4H-1-benzopyran-4-one is 62811-52-3.
What is the molecular formula of 2-Cyclobutyl-7-hydroxy-3-methyl-4H-1-benzopyran-4-one?
The molecular formula of 2-Cyclobutyl-7-hydroxy-3-methyl-4H-1-benzopyran-4-one is C14H14O3.
What is the molecular weight of 2-Cyclobutyl-7-hydroxy-3-methyl-4H-1-benzopyran-4-one?
The molecular weight of 2-Cyclobutyl-7-hydroxy-3-methyl-4H-1-benzopyran-4-one is 230.09 g/mol.
Where can I buy 2-Cyclobutyl-7-hydroxy-3-methyl-4H-1-benzopyran-4-one?
You can request a quote for 2-Cyclobutyl-7-hydroxy-3-methyl-4H-1-benzopyran-4-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Cyclobutyl-7-hydroxy-3-methyl-4H-1-benzopyran-4-one?
Yes, KEHONG BIO provides custom synthesis services for 2-Cyclobutyl-7-hydroxy-3-methyl-4H-1-benzopyran-4-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.