3-(4-methylpiperazine-1-carbonyl)-6-nitro-2H-chromen-2-one
TL;DR: 3-(4-methylpiperazine-1-carbonyl)-6-nitro-2H-chromen-2-one (CAS 325779-64-4) is a chemical compound with molecular formula C15H15N3O5 and molecular weight 317.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(4-methylpiperazine-1-carbonyl)-6-nitrochromen-2-one
Also Known As: 3-(4-methylpiperazine-1-carbonyl)-6-nitro-2H-chromen-2-one, BAS 01236768, 3-(4-methylpiperazine-1-carbonyl)-6-nitrochromen-2-one, 3-[(4-methylpiperazinyl)carbonyl]-6-nitrochromen-2-one, F0777-1781
| Molecular Formula | C15H15N3O5 |
|---|---|
| Molecular Weight | 317.10 g/mol |
| LogP | 1.0888 |
| Topological Polar Surface Area | 96.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 317.10117 |
| Heavy Atoms | 23 |
| Complexity | 836.6115 |
Chemical Identifiers
| CAS Number | 325779-64-4 |
|---|---|
| SMILES | CN1CCN(CC1)C(=O)C2=CC3=C(C=CC(=C3)[N+](=O)[O-])OC2=O |
Product Overview
3-(4-methylpiperazine-1-carbonyl)-6-nitro-2H-chromen-2-one (CAS 325779-64-4), with molecular formula C15H15N3O5 and molecular weight 317.10 g/mol. IUPAC: 3-(4-methylpiperazine-1-carbonyl)-6-nitrochromen-2-one.
Chemical Property Profile of 3-(4-methylpiperazine-1-carbonyl)-6-nitro-2H-chromen-2-one
Property Insights of 3-(4-methylpiperazine-1-carbonyl)-6-nitro-2H-chromen-2-one
The XLogP value of 1.0888 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(4-methylpiperazine-1-carbonyl)-6-nitro-2H-chromen-2-one. The TPSA of 96.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(4-methylpiperazine-1-carbonyl)-6-nitro-2H-chromen-2-one. Following Lipinski's Rule of Five, 3-(4-methylpiperazine-1-carbonyl)-6-nitro-2H-chromen-2-one 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-(4-methylpiperazine-1-carbonyl)-6-nitro-2H-chromen-2-one?
The CAS number of 3-(4-methylpiperazine-1-carbonyl)-6-nitro-2H-chromen-2-one is 325779-64-4.
What is the molecular formula of 3-(4-methylpiperazine-1-carbonyl)-6-nitro-2H-chromen-2-one?
The molecular formula of 3-(4-methylpiperazine-1-carbonyl)-6-nitro-2H-chromen-2-one is C15H15N3O5.
What is the molecular weight of 3-(4-methylpiperazine-1-carbonyl)-6-nitro-2H-chromen-2-one?
The molecular weight of 3-(4-methylpiperazine-1-carbonyl)-6-nitro-2H-chromen-2-one is 317.10 g/mol.
Where can I buy 3-(4-methylpiperazine-1-carbonyl)-6-nitro-2H-chromen-2-one?
You can request a quote for 3-(4-methylpiperazine-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 3-(4-methylpiperazine-1-carbonyl)-6-nitro-2H-chromen-2-one?
Yes, KEHONG BIO provides custom synthesis services for 3-(4-methylpiperazine-1-carbonyl)-6-nitro-2H-chromen-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.