8-methoxy-3-(4-(2-methylallyl)piperazine-1-carbonyl)-6-nitro-2H-chromen-2-one
TL;DR: 8-methoxy-3-(4-(2-methylallyl)piperazine-1-carbonyl)-6-nitro-2H-chromen-2-one (CAS 868214-99-7) is a chemical compound with molecular formula C19H21N3O6 and molecular weight 387.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-methoxy-3-[4-(2-methylprop-2-enyl)piperazine-1-carbonyl]-6-nitrochromen-2-one
Also Known As: F1799-0095, 8-methoxy-3-(4-(2-methylallyl)piperazine-1-carbonyl)-6-nitro-2H-chromen-2-one, 8-methoxy-3-[4-(2-methylprop-2-en-1-yl)piperazine-1-carbonyl]-6-nitro-2H-chromen-2-one, 8-methoxy-3-[4-(2-methylprop-2-enyl)piperazine-1-carbonyl]-6-nitrochromen-2-one, 8-methoxy-3-[4-(2-methylprop-2-enyl)piperazine-1-carbonyl]-6-nitro-chromen-2-one
| Molecular Formula | C19H21N3O6 |
|---|---|
| Molecular Weight | 387.14 g/mol |
| LogP | 2.0437 |
| Topological Polar Surface Area | 106.13 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 387.14304 |
| Heavy Atoms | 28 |
| Complexity | 1004.6314 |
Chemical Identifiers
| CAS Number | 868214-99-7 |
|---|---|
| SMILES | CC(=C)CN1CCN(CC1)C(=O)C2=CC3=CC(=CC(=C3OC2=O)OC)[N+](=O)[O-] |
Product Overview
8-methoxy-3-(4-(2-methylallyl)piperazine-1-carbonyl)-6-nitro-2H-chromen-2-one (CAS 868214-99-7), with molecular formula C19H21N3O6 and molecular weight 387.14 g/mol. IUPAC: 8-methoxy-3-[4-(2-methylprop-2-enyl)piperazine-1-carbonyl]-6-nitrochromen-2-one.
Chemical Property Profile of 8-methoxy-3-(4-(2-methylallyl)piperazine-1-carbonyl)-6-nitro-2H-chromen-2-one
Property Insights of 8-methoxy-3-(4-(2-methylallyl)piperazine-1-carbonyl)-6-nitro-2H-chromen-2-one
The XLogP value of 2.0437 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 8-methoxy-3-(4-(2-methylallyl)piperazine-1-carbonyl)-6-nitro-2H-chromen-2-one. The TPSA of 106.13 Ų falls within the moderate polarity range, balancing permeability and solubility for 8-methoxy-3-(4-(2-methylallyl)piperazine-1-carbonyl)-6-nitro-2H-chromen-2-one. Following Lipinski's Rule of Five, 8-methoxy-3-(4-(2-methylallyl)piperazine-1-carbonyl)-6-nitro-2H-chromen-2-one has 0 hydrogen bond donor(s) and 7 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 8-methoxy-3-(4-(2-methylallyl)piperazine-1-carbonyl)-6-nitro-2H-chromen-2-one?
The CAS number of 8-methoxy-3-(4-(2-methylallyl)piperazine-1-carbonyl)-6-nitro-2H-chromen-2-one is 868214-99-7.
What is the molecular formula of 8-methoxy-3-(4-(2-methylallyl)piperazine-1-carbonyl)-6-nitro-2H-chromen-2-one?
The molecular formula of 8-methoxy-3-(4-(2-methylallyl)piperazine-1-carbonyl)-6-nitro-2H-chromen-2-one is C19H21N3O6.
What is the molecular weight of 8-methoxy-3-(4-(2-methylallyl)piperazine-1-carbonyl)-6-nitro-2H-chromen-2-one?
The molecular weight of 8-methoxy-3-(4-(2-methylallyl)piperazine-1-carbonyl)-6-nitro-2H-chromen-2-one is 387.14 g/mol.
Where can I buy 8-methoxy-3-(4-(2-methylallyl)piperazine-1-carbonyl)-6-nitro-2H-chromen-2-one?
You can request a quote for 8-methoxy-3-(4-(2-methylallyl)piperazine-1-carbonyl)-6-nitro-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 8-methoxy-3-(4-(2-methylallyl)piperazine-1-carbonyl)-6-nitro-2H-chromen-2-one?
Yes, KEHONG BIO provides custom synthesis services for 8-methoxy-3-(4-(2-methylallyl)piperazine-1-carbonyl)-6-nitro-2H-chromen-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.