3-(2-(4-(2,3-dimethylphenyl)piperazin-1-yl)-2-oxoethyl)-5,7-dihydroxy-4-methyl-2H-chromen-2-one
TL;DR: 3-(2-(4-(2,3-dimethylphenyl)piperazin-1-yl)-2-oxoethyl)-5,7-dihydroxy-4-methyl-2H-chromen-2-one (CAS 902307-89-5) is a chemical compound with molecular formula C24H26N2O5 and molecular weight 422.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-oxoethyl]-5,7-dihydroxy-4-methylchromen-2-one
Also Known As: 3-(2-(4-(2,3-dimethylphenyl)piperazin-1-yl)-2-oxoethyl)-5,7-dihydroxy-4-methyl-2H-chromen-2-one, 3-[2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-oxoethyl]-5,7-dihydroxy-4-methylchromen-2-one, 3-{2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-oxoethyl}-5,7-dihydroxy-4-methyl-2H-chromen-2-one
| Molecular Formula | C24H26N2O5 |
|---|---|
| Molecular Weight | 422.18 g/mol |
| LogP | 3.02076 |
| Topological Polar Surface Area | 94.22 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 422.18417 |
| Heavy Atoms | 31 |
| Complexity | 1222.8473 |
Chemical Identifiers
| CAS Number | 902307-89-5 |
|---|---|
| SMILES | CC1=C(C(=CC=C1)N2CCN(CC2)C(=O)CC3=C(C4=C(C=C(C=C4OC3=O)O)O)C)C |
Product Overview
3-(2-(4-(2,3-dimethylphenyl)piperazin-1-yl)-2-oxoethyl)-5,7-dihydroxy-4-methyl-2H-chromen-2-one (CAS 902307-89-5), with molecular formula C24H26N2O5 and molecular weight 422.18 g/mol. IUPAC: 3-[2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-oxoethyl]-5,7-dihydroxy-4-methylchromen-2-one.
Chemical Property Profile of 3-(2-(4-(2,3-dimethylphenyl)piperazin-1-yl)-2-oxoethyl)-5,7-dihydroxy-4-methyl-2H-chromen-2-one
Property Insights of 3-(2-(4-(2,3-dimethylphenyl)piperazin-1-yl)-2-oxoethyl)-5,7-dihydroxy-4-methyl-2H-chromen-2-one
The XLogP value of 3.02076 indicates that 3-(2-(4-(2,3-dimethylphenyl)piperazin-1-yl)-2-oxoethyl)-5,7-dihydroxy-4-methyl-2H-chromen-2-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 94.22 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(2-(4-(2,3-dimethylphenyl)piperazin-1-yl)-2-oxoethyl)-5,7-dihydroxy-4-methyl-2H-chromen-2-one. Following Lipinski's Rule of Five, 3-(2-(4-(2,3-dimethylphenyl)piperazin-1-yl)-2-oxoethyl)-5,7-dihydroxy-4-methyl-2H-chromen-2-one has 2 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-(4-(2,3-dimethylphenyl)piperazin-1-yl)-2-oxoethyl)-5,7-dihydroxy-4-methyl-2H-chromen-2-one?
The CAS number of 3-(2-(4-(2,3-dimethylphenyl)piperazin-1-yl)-2-oxoethyl)-5,7-dihydroxy-4-methyl-2H-chromen-2-one is 902307-89-5.
What is the molecular formula of 3-(2-(4-(2,3-dimethylphenyl)piperazin-1-yl)-2-oxoethyl)-5,7-dihydroxy-4-methyl-2H-chromen-2-one?
The molecular formula of 3-(2-(4-(2,3-dimethylphenyl)piperazin-1-yl)-2-oxoethyl)-5,7-dihydroxy-4-methyl-2H-chromen-2-one is C24H26N2O5.
What is the molecular weight of 3-(2-(4-(2,3-dimethylphenyl)piperazin-1-yl)-2-oxoethyl)-5,7-dihydroxy-4-methyl-2H-chromen-2-one?
The molecular weight of 3-(2-(4-(2,3-dimethylphenyl)piperazin-1-yl)-2-oxoethyl)-5,7-dihydroxy-4-methyl-2H-chromen-2-one is 422.18 g/mol.
Where can I buy 3-(2-(4-(2,3-dimethylphenyl)piperazin-1-yl)-2-oxoethyl)-5,7-dihydroxy-4-methyl-2H-chromen-2-one?
You can request a quote for 3-(2-(4-(2,3-dimethylphenyl)piperazin-1-yl)-2-oxoethyl)-5,7-dihydroxy-4-methyl-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 3-(2-(4-(2,3-dimethylphenyl)piperazin-1-yl)-2-oxoethyl)-5,7-dihydroxy-4-methyl-2H-chromen-2-one?
Yes, KEHONG BIO provides custom synthesis services for 3-(2-(4-(2,3-dimethylphenyl)piperazin-1-yl)-2-oxoethyl)-5,7-dihydroxy-4-methyl-2H-chromen-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.