2H-1-Benzopyran-2-one, 3-butyl-4,7-dimethyl-6-hydroxy-
TL;DR: 2H-1-Benzopyran-2-one, 3-butyl-4,7-dimethyl-6-hydroxy- (CAS 111052-75-6) 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-6-hydroxy-4,7-dimethylchromen-2-one
Also Known As: 2H-1-Benzopyran-2-one, 3-butyl-4,7-dimethyl-6-hydroxy-, 3-Butyl-4,7-dimethyl-6-hydroxy-2H-1-benzopyran-2-one, 3-butyl-6-hydroxy-4,7-dimethylchromen-2-one, 3-Butyl-6-hydroxy-4,7-dimethyl-2H-1-benzopyran-2-one, RefChem:268160
| 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 | 111052-75-6 |
|---|---|
| SMILES | CCCCC1=C(C2=C(C=C(C(=C2)O)C)OC1=O)C |
Product Overview
2H-1-Benzopyran-2-one, 3-butyl-4,7-dimethyl-6-hydroxy- (CAS 111052-75-6), with molecular formula C15H18O3 and molecular weight 246.13 g/mol. IUPAC: 3-butyl-6-hydroxy-4,7-dimethylchromen-2-one.
Chemical Property Profile of 2H-1-Benzopyran-2-one, 3-butyl-4,7-dimethyl-6-hydroxy-
Property Insights of 2H-1-Benzopyran-2-one, 3-butyl-4,7-dimethyl-6-hydroxy-
The XLogP value of 3.45804 indicates that 2H-1-Benzopyran-2-one, 3-butyl-4,7-dimethyl-6-hydroxy- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 50.44 Ų, 2H-1-Benzopyran-2-one, 3-butyl-4,7-dimethyl-6-hydroxy- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2H-1-Benzopyran-2-one, 3-butyl-4,7-dimethyl-6-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 2H-1-Benzopyran-2-one, 3-butyl-4,7-dimethyl-6-hydroxy-?
The CAS number of 2H-1-Benzopyran-2-one, 3-butyl-4,7-dimethyl-6-hydroxy- is 111052-75-6.
What is the molecular formula of 2H-1-Benzopyran-2-one, 3-butyl-4,7-dimethyl-6-hydroxy-?
The molecular formula of 2H-1-Benzopyran-2-one, 3-butyl-4,7-dimethyl-6-hydroxy- is C15H18O3.
What is the molecular weight of 2H-1-Benzopyran-2-one, 3-butyl-4,7-dimethyl-6-hydroxy-?
The molecular weight of 2H-1-Benzopyran-2-one, 3-butyl-4,7-dimethyl-6-hydroxy- is 246.13 g/mol.
Where can I buy 2H-1-Benzopyran-2-one, 3-butyl-4,7-dimethyl-6-hydroxy-?
You can request a quote for 2H-1-Benzopyran-2-one, 3-butyl-4,7-dimethyl-6-hydroxy- 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, 3-butyl-4,7-dimethyl-6-hydroxy-?
Yes, KEHONG BIO provides custom synthesis services for 2H-1-Benzopyran-2-one, 3-butyl-4,7-dimethyl-6-hydroxy- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.