6-Nitro-3-(4-pyrimidin-2-ylpiperazine-1-carbonyl)chromen-2-one
TL;DR: 6-Nitro-3-(4-pyrimidin-2-ylpiperazine-1-carbonyl)chromen-2-one (CAS 777873-34-4) is a chemical compound with molecular formula C18H15N5O5 and molecular weight 381.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-nitro-3-(4-pyrimidin-2-ylpiperazine-1-carbonyl)chromen-2-one
Also Known As: 6-nitro-3-(4-pyrimidin-2-ylpiperazine-1-carbonyl)chromen-2-one, 6-nitro-3-[(4-pyrimidin-2-ylpiperazinyl)carbonyl]chromen-2-one, 6-nitro-3-{[4-(2-pyrimidinyl)-1-piperazinyl]carbonyl}-2H-chromen-2-one, 6-nitro-3-{[4-(pyrimidin-2-yl)piperazin-1-yl]carbonyl}-2H-chromen-2-one
| Molecular Formula | C18H15N5O5 |
|---|---|
| Molecular Weight | 381.11 g/mol |
| LogP | 1.4536 |
| Topological Polar Surface Area | 122.68 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 3 |
| Exact Mass | 381.10733 |
| Heavy Atoms | 28 |
| Complexity | 1106.2994 |
Chemical Identifiers
| CAS Number | 777873-34-4 |
|---|---|
| SMILES | C1CN(CCN1C2=NC=CC=N2)C(=O)C3=CC4=C(C=CC(=C4)[N+](=O)[O-])OC3=O |
Product Overview
6-Nitro-3-(4-pyrimidin-2-ylpiperazine-1-carbonyl)chromen-2-one (CAS 777873-34-4), with molecular formula C18H15N5O5 and molecular weight 381.11 g/mol. IUPAC: 6-nitro-3-(4-pyrimidin-2-ylpiperazine-1-carbonyl)chromen-2-one.
Chemical Property Profile of 6-Nitro-3-(4-pyrimidin-2-ylpiperazine-1-carbonyl)chromen-2-one
Property Insights of 6-Nitro-3-(4-pyrimidin-2-ylpiperazine-1-carbonyl)chromen-2-one
The XLogP value of 1.4536 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-Nitro-3-(4-pyrimidin-2-ylpiperazine-1-carbonyl)chromen-2-one. The TPSA of 122.68 Ų falls within the moderate polarity range, balancing permeability and solubility for 6-Nitro-3-(4-pyrimidin-2-ylpiperazine-1-carbonyl)chromen-2-one. Following Lipinski's Rule of Five, 6-Nitro-3-(4-pyrimidin-2-ylpiperazine-1-carbonyl)chromen-2-one has 0 hydrogen bond donor(s) and 8 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 6-Nitro-3-(4-pyrimidin-2-ylpiperazine-1-carbonyl)chromen-2-one?
The CAS number of 6-Nitro-3-(4-pyrimidin-2-ylpiperazine-1-carbonyl)chromen-2-one is 777873-34-4.
What is the molecular formula of 6-Nitro-3-(4-pyrimidin-2-ylpiperazine-1-carbonyl)chromen-2-one?
The molecular formula of 6-Nitro-3-(4-pyrimidin-2-ylpiperazine-1-carbonyl)chromen-2-one is C18H15N5O5.
What is the molecular weight of 6-Nitro-3-(4-pyrimidin-2-ylpiperazine-1-carbonyl)chromen-2-one?
The molecular weight of 6-Nitro-3-(4-pyrimidin-2-ylpiperazine-1-carbonyl)chromen-2-one is 381.11 g/mol.
Where can I buy 6-Nitro-3-(4-pyrimidin-2-ylpiperazine-1-carbonyl)chromen-2-one?
You can request a quote for 6-Nitro-3-(4-pyrimidin-2-ylpiperazine-1-carbonyl)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 6-Nitro-3-(4-pyrimidin-2-ylpiperazine-1-carbonyl)chromen-2-one?
Yes, KEHONG BIO provides custom synthesis services for 6-Nitro-3-(4-pyrimidin-2-ylpiperazine-1-carbonyl)chromen-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.