2H-1-Benzopyran-2-one, 3,6-dibutyl-7-hydroxy-4-methyl-
TL;DR: 2H-1-Benzopyran-2-one, 3,6-dibutyl-7-hydroxy-4-methyl- (CAS 111052-69-8) is a chemical compound with molecular formula C18H24O3 and molecular weight 288.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,6-dibutyl-7-hydroxy-4-methylchromen-2-one
Also Known As: 3,6-Dibutyl-7-hydroxy-4-methyl-2H-1-benzopyran-2-one, 2H-1-Benzopyran-2-one, 3,6-dibutyl-7-hydroxy-4-methyl-, 3,6-dibutyl-7-hydroxy-4-methylchromen-2-one, 3,6-dibutyl-7-hydroxy-4-methyl-2H-chromen-2-one, RefChem:268146
| Molecular Formula | C18H24O3 |
|---|---|
| Molecular Weight | 288.17 g/mol |
| LogP | 4.49222 |
| Topological Polar Surface Area | 50.44 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 288.17255 |
| Heavy Atoms | 21 |
| Complexity | 682.9034 |
Chemical Identifiers
| CAS Number | 111052-69-8 |
|---|---|
| SMILES | CCCCC1=CC2=C(C=C1O)OC(=O)C(=C2C)CCCC |
Product Overview
2H-1-Benzopyran-2-one, 3,6-dibutyl-7-hydroxy-4-methyl- (CAS 111052-69-8), with molecular formula C18H24O3 and molecular weight 288.17 g/mol. IUPAC: 3,6-dibutyl-7-hydroxy-4-methylchromen-2-one.
Chemical Property Profile of 2H-1-Benzopyran-2-one, 3,6-dibutyl-7-hydroxy-4-methyl-
Property Insights of 2H-1-Benzopyran-2-one, 3,6-dibutyl-7-hydroxy-4-methyl-
The XLogP value of 4.49222 indicates that 2H-1-Benzopyran-2-one, 3,6-dibutyl-7-hydroxy-4-methyl- 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, 3,6-dibutyl-7-hydroxy-4-methyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2H-1-Benzopyran-2-one, 3,6-dibutyl-7-hydroxy-4-methyl- 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, 3,6-dibutyl-7-hydroxy-4-methyl-?
The CAS number of 2H-1-Benzopyran-2-one, 3,6-dibutyl-7-hydroxy-4-methyl- is 111052-69-8.
What is the molecular formula of 2H-1-Benzopyran-2-one, 3,6-dibutyl-7-hydroxy-4-methyl-?
The molecular formula of 2H-1-Benzopyran-2-one, 3,6-dibutyl-7-hydroxy-4-methyl- is C18H24O3.
What is the molecular weight of 2H-1-Benzopyran-2-one, 3,6-dibutyl-7-hydroxy-4-methyl-?
The molecular weight of 2H-1-Benzopyran-2-one, 3,6-dibutyl-7-hydroxy-4-methyl- is 288.17 g/mol.
Where can I buy 2H-1-Benzopyran-2-one, 3,6-dibutyl-7-hydroxy-4-methyl-?
You can request a quote for 2H-1-Benzopyran-2-one, 3,6-dibutyl-7-hydroxy-4-methyl- 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, 3,6-dibutyl-7-hydroxy-4-methyl-?
Yes, KEHONG BIO provides custom synthesis services for 2H-1-Benzopyran-2-one, 3,6-dibutyl-7-hydroxy-4-methyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.