3-isobutyl-4-methyl-2-oxo-2H-chromen-7-yl acetate
TL;DR: 3-isobutyl-4-methyl-2-oxo-2H-chromen-7-yl acetate (CAS 296265-87-7) is a chemical compound with molecular formula C16H18O4 and molecular weight 274.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-methyl-3-(2-methylpropyl)-2-oxochromen-7-yl] acetate
Also Known As: 3-isobutyl-4-methyl-2-oxo-2H-chromen-7-yl acetate, [4-methyl-3-(2-methylpropyl)-2-oxochromen-7-yl] acetate, 4-methyl-3-(2-methylpropyl)-2-oxo-2H-chromen-7-yl acetate
| Molecular Formula | C16H18O4 |
|---|---|
| Molecular Weight | 274.12 g/mol |
| LogP | 3.22522 |
| Topological Polar Surface Area | 56.51 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 274.1205 |
| Heavy Atoms | 20 |
| Complexity | 710.22406 |
Chemical Identifiers
| CAS Number | 296265-87-7 |
|---|---|
| SMILES | CC1=C(C(=O)OC2=C1C=CC(=C2)OC(=O)C)CC(C)C |
Product Overview
3-isobutyl-4-methyl-2-oxo-2H-chromen-7-yl acetate (CAS 296265-87-7), with molecular formula C16H18O4 and molecular weight 274.12 g/mol. IUPAC: [4-methyl-3-(2-methylpropyl)-2-oxochromen-7-yl] acetate.
Chemical Property Profile of 3-isobutyl-4-methyl-2-oxo-2H-chromen-7-yl acetate
Property Insights of 3-isobutyl-4-methyl-2-oxo-2H-chromen-7-yl acetate
The XLogP value of 3.22522 indicates that 3-isobutyl-4-methyl-2-oxo-2H-chromen-7-yl acetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 56.51 Ų, 3-isobutyl-4-methyl-2-oxo-2H-chromen-7-yl acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-isobutyl-4-methyl-2-oxo-2H-chromen-7-yl acetate has 0 hydrogen bond donor(s) and 4 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-isobutyl-4-methyl-2-oxo-2H-chromen-7-yl acetate?
The CAS number of 3-isobutyl-4-methyl-2-oxo-2H-chromen-7-yl acetate is 296265-87-7.
What is the molecular formula of 3-isobutyl-4-methyl-2-oxo-2H-chromen-7-yl acetate?
The molecular formula of 3-isobutyl-4-methyl-2-oxo-2H-chromen-7-yl acetate is C16H18O4.
What is the molecular weight of 3-isobutyl-4-methyl-2-oxo-2H-chromen-7-yl acetate?
The molecular weight of 3-isobutyl-4-methyl-2-oxo-2H-chromen-7-yl acetate is 274.12 g/mol.
Where can I buy 3-isobutyl-4-methyl-2-oxo-2H-chromen-7-yl acetate?
You can request a quote for 3-isobutyl-4-methyl-2-oxo-2H-chromen-7-yl acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-isobutyl-4-methyl-2-oxo-2H-chromen-7-yl acetate?
Yes, KEHONG BIO provides custom synthesis services for 3-isobutyl-4-methyl-2-oxo-2H-chromen-7-yl acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.