3-(2,5-dimethoxyphenyl)-4-methyl-2-oxo-2H-chromen-6-yl isobutyrate
TL;DR: 3-(2,5-dimethoxyphenyl)-4-methyl-2-oxo-2H-chromen-6-yl isobutyrate (CAS 859667-83-7) is a chemical compound with molecular formula C22H22O6 and molecular weight 382.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[3-(2,5-dimethoxyphenyl)-4-methyl-2-oxochromen-6-yl] 2-methylpropanoate
Also Known As: VU0617229-1, 3-(2,5-dimethoxyphenyl)-4-methyl-2-oxo-2H-chromen-6-yl isobutyrate, 3-(2,5-dimethoxyphenyl)-4-methyl-2-oxo-2H-chromen-6-yl 2-methylpropanoate, F3385-3109, [3-(2,5-dimethoxyphenyl)-4-methyl-2-oxochromen-6-yl] 2-methylpropanoate
| Molecular Formula | C22H22O6 |
|---|---|
| Molecular Weight | 382.14 g/mol |
| LogP | 4.34702 |
| Topological Polar Surface Area | 74.97 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 382.14163 |
| Heavy Atoms | 28 |
| Complexity | 1094.1127 |
Chemical Identifiers
| CAS Number | 859667-83-7 |
|---|---|
| SMILES | CC1=C(C(=O)OC2=C1C=C(C=C2)OC(=O)C(C)C)C3=C(C=CC(=C3)OC)OC |
Product Overview
3-(2,5-dimethoxyphenyl)-4-methyl-2-oxo-2H-chromen-6-yl isobutyrate (CAS 859667-83-7), with molecular formula C22H22O6 and molecular weight 382.14 g/mol. IUPAC: [3-(2,5-dimethoxyphenyl)-4-methyl-2-oxochromen-6-yl] 2-methylpropanoate.
Chemical Property Profile of 3-(2,5-dimethoxyphenyl)-4-methyl-2-oxo-2H-chromen-6-yl isobutyrate
Property Insights of 3-(2,5-dimethoxyphenyl)-4-methyl-2-oxo-2H-chromen-6-yl isobutyrate
The XLogP value of 4.34702 indicates that 3-(2,5-dimethoxyphenyl)-4-methyl-2-oxo-2H-chromen-6-yl isobutyrate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 74.97 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(2,5-dimethoxyphenyl)-4-methyl-2-oxo-2H-chromen-6-yl isobutyrate. Following Lipinski's Rule of Five, 3-(2,5-dimethoxyphenyl)-4-methyl-2-oxo-2H-chromen-6-yl isobutyrate has 0 hydrogen bond donor(s) and 6 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-(2,5-dimethoxyphenyl)-4-methyl-2-oxo-2H-chromen-6-yl isobutyrate?
The CAS number of 3-(2,5-dimethoxyphenyl)-4-methyl-2-oxo-2H-chromen-6-yl isobutyrate is 859667-83-7.
What is the molecular formula of 3-(2,5-dimethoxyphenyl)-4-methyl-2-oxo-2H-chromen-6-yl isobutyrate?
The molecular formula of 3-(2,5-dimethoxyphenyl)-4-methyl-2-oxo-2H-chromen-6-yl isobutyrate is C22H22O6.
What is the molecular weight of 3-(2,5-dimethoxyphenyl)-4-methyl-2-oxo-2H-chromen-6-yl isobutyrate?
The molecular weight of 3-(2,5-dimethoxyphenyl)-4-methyl-2-oxo-2H-chromen-6-yl isobutyrate is 382.14 g/mol.
Where can I buy 3-(2,5-dimethoxyphenyl)-4-methyl-2-oxo-2H-chromen-6-yl isobutyrate?
You can request a quote for 3-(2,5-dimethoxyphenyl)-4-methyl-2-oxo-2H-chromen-6-yl isobutyrate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(2,5-dimethoxyphenyl)-4-methyl-2-oxo-2H-chromen-6-yl isobutyrate?
Yes, KEHONG BIO provides custom synthesis services for 3-(2,5-dimethoxyphenyl)-4-methyl-2-oxo-2H-chromen-6-yl isobutyrate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.