2H-1-Benzopyran-2-one, 3-butyl-7-hydroxy-4-methyl-6-pentyl-
TL;DR: 2H-1-Benzopyran-2-one, 3-butyl-7-hydroxy-4-methyl-6-pentyl- (CAS 111052-71-2) is a chemical compound with molecular formula C19H26O3 and molecular weight 302.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-butyl-7-hydroxy-4-methyl-6-pentylchromen-2-one
Also Known As: 2H-1-Benzopyran-2-one, 3-butyl-7-hydroxy-4-methyl-6-pentyl-, 3-Butyl-7-hydroxy-4-methyl-6-pentyl-2H-1-benzopyran-2-one, 3-butyl-7-hydroxy-4-methyl-6-pentylchromen-2-one, 3-Butyl-7-hydroxy-4-methyl-6-pentyl-2H-chromen-2-one, 3-butyl7-hydroxy-4-methyl-6-pentyl-2h-chromen-2-one
| Molecular Formula | C19H26O3 |
|---|---|
| Molecular Weight | 302.19 g/mol |
| LogP | 4.88232 |
| Topological Polar Surface Area | 50.44 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 302.1882 |
| Heavy Atoms | 22 |
| Complexity | 697.873 |
Chemical Identifiers
| CAS Number | 111052-71-2 |
|---|---|
| SMILES | CCCCCC1=CC2=C(C=C1O)OC(=O)C(=C2C)CCCC |
Product Overview
2H-1-Benzopyran-2-one, 3-butyl-7-hydroxy-4-methyl-6-pentyl- (CAS 111052-71-2), with molecular formula C19H26O3 and molecular weight 302.19 g/mol. IUPAC: 3-butyl-7-hydroxy-4-methyl-6-pentylchromen-2-one.
Chemical Property Profile of 2H-1-Benzopyran-2-one, 3-butyl-7-hydroxy-4-methyl-6-pentyl-
Property Insights of 2H-1-Benzopyran-2-one, 3-butyl-7-hydroxy-4-methyl-6-pentyl-
The XLogP value of 4.88232 indicates that 2H-1-Benzopyran-2-one, 3-butyl-7-hydroxy-4-methyl-6-pentyl- 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-7-hydroxy-4-methyl-6-pentyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2H-1-Benzopyran-2-one, 3-butyl-7-hydroxy-4-methyl-6-pentyl- 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-7-hydroxy-4-methyl-6-pentyl-?
The CAS number of 2H-1-Benzopyran-2-one, 3-butyl-7-hydroxy-4-methyl-6-pentyl- is 111052-71-2.
What is the molecular formula of 2H-1-Benzopyran-2-one, 3-butyl-7-hydroxy-4-methyl-6-pentyl-?
The molecular formula of 2H-1-Benzopyran-2-one, 3-butyl-7-hydroxy-4-methyl-6-pentyl- is C19H26O3.
What is the molecular weight of 2H-1-Benzopyran-2-one, 3-butyl-7-hydroxy-4-methyl-6-pentyl-?
The molecular weight of 2H-1-Benzopyran-2-one, 3-butyl-7-hydroxy-4-methyl-6-pentyl- is 302.19 g/mol.
Where can I buy 2H-1-Benzopyran-2-one, 3-butyl-7-hydroxy-4-methyl-6-pentyl-?
You can request a quote for 2H-1-Benzopyran-2-one, 3-butyl-7-hydroxy-4-methyl-6-pentyl- 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-7-hydroxy-4-methyl-6-pentyl-?
Yes, KEHONG BIO provides custom synthesis services for 2H-1-Benzopyran-2-one, 3-butyl-7-hydroxy-4-methyl-6-pentyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.