4H-Pyran-4-one, 2-butyl-3-hydroxy-
TL;DR: 4H-Pyran-4-one, 2-butyl-3-hydroxy- (CAS 4940-17-4) is a chemical compound with molecular formula C9H12O3 and molecular weight 168.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-butyl-3-hydroxypyran-4-one
Also Known As: 2-Butyl-3-hydroxy-4H-pyran-4-one, 4H-Pyran-4-one, 2-butyl-3-hydroxy-, 2-butyl-3-hydroxypyran-4-one, RefChem:100697
| Molecular Formula | C9H12O3 |
|---|---|
| Molecular Weight | 168.08 g/mol |
| LogP | 1.688 |
| Topological Polar Surface Area | 50.44 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 168.07864 |
| Heavy Atoms | 12 |
| Complexity | 300.88712 |
Chemical Identifiers
| CAS Number | 4940-17-4 |
|---|---|
| SMILES | CCCCC1=C(C(=O)C=CO1)O |
Product Overview
4H-Pyran-4-one, 2-butyl-3-hydroxy- (CAS 4940-17-4), with molecular formula C9H12O3 and molecular weight 168.08 g/mol. IUPAC: 2-butyl-3-hydroxypyran-4-one.
Chemical Property Profile of 4H-Pyran-4-one, 2-butyl-3-hydroxy-
Property Insights of 4H-Pyran-4-one, 2-butyl-3-hydroxy-
The XLogP value of 1.688 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4H-Pyran-4-one, 2-butyl-3-hydroxy-. With a topological polar surface area (TPSA) of 50.44 Ų, 4H-Pyran-4-one, 2-butyl-3-hydroxy- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4H-Pyran-4-one, 2-butyl-3-hydroxy- 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 4H-Pyran-4-one, 2-butyl-3-hydroxy-?
The CAS number of 4H-Pyran-4-one, 2-butyl-3-hydroxy- is 4940-17-4.
What is the molecular formula of 4H-Pyran-4-one, 2-butyl-3-hydroxy-?
The molecular formula of 4H-Pyran-4-one, 2-butyl-3-hydroxy- is C9H12O3.
What is the molecular weight of 4H-Pyran-4-one, 2-butyl-3-hydroxy-?
The molecular weight of 4H-Pyran-4-one, 2-butyl-3-hydroxy- is 168.08 g/mol.
Where can I buy 4H-Pyran-4-one, 2-butyl-3-hydroxy-?
You can request a quote for 4H-Pyran-4-one, 2-butyl-3-hydroxy- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4H-Pyran-4-one, 2-butyl-3-hydroxy-?
Yes, KEHONG BIO provides custom synthesis services for 4H-Pyran-4-one, 2-butyl-3-hydroxy- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.