7-(hexyloxy)-4-methyl-3-(3-methylbutyl)-2H-chromen-2-one
TL;DR: 7-(hexyloxy)-4-methyl-3-(3-methylbutyl)-2H-chromen-2-one (CAS 376381-48-5) is a chemical compound with molecular formula C21H30O3 and molecular weight 330.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-hexoxy-4-methyl-3-(3-methylbutyl)chromen-2-one
Also Known As: AB01315271-02, 7-hexoxy-4-methyl-3-(3-methylbutyl)chromen-2-one, 7-(hexyloxy)-3-isopentyl-4-methyl-2H-chromen-2-one, 7-(hexyloxy)-4-methyl-3-(3-methylbutyl)-2H-chromen-2-one
| Molecular Formula | C21H30O3 |
|---|---|
| Molecular Weight | 330.22 g/mol |
| LogP | 5.64912 |
| Topological Polar Surface Area | 39.44 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 9 |
| Exact Mass | 330.21948 |
| Heavy Atoms | 24 |
| Complexity | 712.831 |
Chemical Identifiers
| CAS Number | 376381-48-5 |
|---|---|
| SMILES | CCCCCCOC1=CC2=C(C=C1)C(=C(C(=O)O2)CCC(C)C)C |
Product Overview
7-(hexyloxy)-4-methyl-3-(3-methylbutyl)-2H-chromen-2-one (CAS 376381-48-5), with molecular formula C21H30O3 and molecular weight 330.22 g/mol. IUPAC: 7-hexoxy-4-methyl-3-(3-methylbutyl)chromen-2-one.
Chemical Property Profile of 7-(hexyloxy)-4-methyl-3-(3-methylbutyl)-2H-chromen-2-one
Property Insights of 7-(hexyloxy)-4-methyl-3-(3-methylbutyl)-2H-chromen-2-one
The XLogP value of 5.64912 indicates that 7-(hexyloxy)-4-methyl-3-(3-methylbutyl)-2H-chromen-2-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 39.44 Ų, 7-(hexyloxy)-4-methyl-3-(3-methylbutyl)-2H-chromen-2-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 7-(hexyloxy)-4-methyl-3-(3-methylbutyl)-2H-chromen-2-one has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 7-(hexyloxy)-4-methyl-3-(3-methylbutyl)-2H-chromen-2-one?
The CAS number of 7-(hexyloxy)-4-methyl-3-(3-methylbutyl)-2H-chromen-2-one is 376381-48-5.
What is the molecular formula of 7-(hexyloxy)-4-methyl-3-(3-methylbutyl)-2H-chromen-2-one?
The molecular formula of 7-(hexyloxy)-4-methyl-3-(3-methylbutyl)-2H-chromen-2-one is C21H30O3.
What is the molecular weight of 7-(hexyloxy)-4-methyl-3-(3-methylbutyl)-2H-chromen-2-one?
The molecular weight of 7-(hexyloxy)-4-methyl-3-(3-methylbutyl)-2H-chromen-2-one is 330.22 g/mol.
Where can I buy 7-(hexyloxy)-4-methyl-3-(3-methylbutyl)-2H-chromen-2-one?
You can request a quote for 7-(hexyloxy)-4-methyl-3-(3-methylbutyl)-2H-chromen-2-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 7-(hexyloxy)-4-methyl-3-(3-methylbutyl)-2H-chromen-2-one?
Yes, KEHONG BIO provides custom synthesis services for 7-(hexyloxy)-4-methyl-3-(3-methylbutyl)-2H-chromen-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.