3-Butyl-4,8-dimethyl-7-hydroxy-2H-1-benzopyran-2-one
TL;DR: 3-Butyl-4,8-dimethyl-7-hydroxy-2H-1-benzopyran-2-one (CAS 92581-70-9) is a chemical compound with molecular formula C15H18O3 and molecular weight 246.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-butyl-7-hydroxy-4,8-dimethylchromen-2-one
Also Known As: 3-Butyl-4,8-dimethyl-7-hydroxy-2H-1-benzopyran-2-one, 3-butyl-7-hydroxy-4,8-dimethylchromen-2-one, 3-butyl-7-hydroxy-4,8-dimethyl-2H-chromen-2-one, 2H-1-Benzopyran-2-one, 3-butyl-4,8-dimethyl-7-hydroxy-, 5-18-01-00512 (Beilstein Handbook Reference)
| Molecular Formula | C15H18O3 |
|---|---|
| Molecular Weight | 246.13 g/mol |
| LogP | 3.45804 |
| Topological Polar Surface Area | 50.44 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 246.1256 |
| Heavy Atoms | 18 |
| Complexity | 638.2093 |
Chemical Identifiers
| CAS Number | 92581-70-9 |
|---|---|
| SMILES | CCCCC1=C(C2=C(C(=C(C=C2)O)C)OC1=O)C |
Product Overview
3-Butyl-4,8-dimethyl-7-hydroxy-2H-1-benzopyran-2-one (CAS 92581-70-9), with molecular formula C15H18O3 and molecular weight 246.13 g/mol. IUPAC: 3-butyl-7-hydroxy-4,8-dimethylchromen-2-one.
Chemical Property Profile of 3-Butyl-4,8-dimethyl-7-hydroxy-2H-1-benzopyran-2-one
Property Insights of 3-Butyl-4,8-dimethyl-7-hydroxy-2H-1-benzopyran-2-one
The XLogP value of 3.45804 indicates that 3-Butyl-4,8-dimethyl-7-hydroxy-2H-1-benzopyran-2-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, 3-Butyl-4,8-dimethyl-7-hydroxy-2H-1-benzopyran-2-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Butyl-4,8-dimethyl-7-hydroxy-2H-1-benzopyran-2-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 3-Butyl-4,8-dimethyl-7-hydroxy-2H-1-benzopyran-2-one?
The CAS number of 3-Butyl-4,8-dimethyl-7-hydroxy-2H-1-benzopyran-2-one is 92581-70-9.
What is the molecular formula of 3-Butyl-4,8-dimethyl-7-hydroxy-2H-1-benzopyran-2-one?
The molecular formula of 3-Butyl-4,8-dimethyl-7-hydroxy-2H-1-benzopyran-2-one is C15H18O3.
What is the molecular weight of 3-Butyl-4,8-dimethyl-7-hydroxy-2H-1-benzopyran-2-one?
The molecular weight of 3-Butyl-4,8-dimethyl-7-hydroxy-2H-1-benzopyran-2-one is 246.13 g/mol.
Where can I buy 3-Butyl-4,8-dimethyl-7-hydroxy-2H-1-benzopyran-2-one?
You can request a quote for 3-Butyl-4,8-dimethyl-7-hydroxy-2H-1-benzopyran-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-Butyl-4,8-dimethyl-7-hydroxy-2H-1-benzopyran-2-one?
Yes, KEHONG BIO provides custom synthesis services for 3-Butyl-4,8-dimethyl-7-hydroxy-2H-1-benzopyran-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.