3-(4-ethylpiperazine-1-carbonyl)-6-nitro-2H-chromen-2-one
TL;DR: 3-(4-ethylpiperazine-1-carbonyl)-6-nitro-2H-chromen-2-one (CAS 838843-35-9) is a chemical compound with molecular formula C16H17N3O5 and molecular weight 331.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(4-ethylpiperazine-1-carbonyl)-6-nitrochromen-2-one
Also Known As: 3-(4-ethylpiperazine-1-carbonyl)-6-nitro-2H-chromen-2-one, AB00612780-02, 3-(4-ethylpiperazine-1-carbonyl)-6-nitrochromen-2-one, 3-(4-ethylpiperazine-1-carbonyl)-6-nitro-chromen-2-one, F1761-0014
| Molecular Formula | C16H17N3O5 |
|---|---|
| Molecular Weight | 331.12 g/mol |
| LogP | 1.4789 |
| Topological Polar Surface Area | 96.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 331.11682 |
| Heavy Atoms | 24 |
| Complexity | 852.402 |
Chemical Identifiers
| CAS Number | 838843-35-9 |
|---|---|
| SMILES | CCN1CCN(CC1)C(=O)C2=CC3=C(C=CC(=C3)[N+](=O)[O-])OC2=O |
Product Overview
3-(4-ethylpiperazine-1-carbonyl)-6-nitro-2H-chromen-2-one (CAS 838843-35-9), with molecular formula C16H17N3O5 and molecular weight 331.12 g/mol. IUPAC: 3-(4-ethylpiperazine-1-carbonyl)-6-nitrochromen-2-one.
Chemical Property Profile of 3-(4-ethylpiperazine-1-carbonyl)-6-nitro-2H-chromen-2-one
Property Insights of 3-(4-ethylpiperazine-1-carbonyl)-6-nitro-2H-chromen-2-one
The XLogP value of 1.4789 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(4-ethylpiperazine-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-ethylpiperazine-1-carbonyl)-6-nitro-2H-chromen-2-one. Following Lipinski's Rule of Five, 3-(4-ethylpiperazine-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-ethylpiperazine-1-carbonyl)-6-nitro-2H-chromen-2-one?
The CAS number of 3-(4-ethylpiperazine-1-carbonyl)-6-nitro-2H-chromen-2-one is 838843-35-9.
What is the molecular formula of 3-(4-ethylpiperazine-1-carbonyl)-6-nitro-2H-chromen-2-one?
The molecular formula of 3-(4-ethylpiperazine-1-carbonyl)-6-nitro-2H-chromen-2-one is C16H17N3O5.
What is the molecular weight of 3-(4-ethylpiperazine-1-carbonyl)-6-nitro-2H-chromen-2-one?
The molecular weight of 3-(4-ethylpiperazine-1-carbonyl)-6-nitro-2H-chromen-2-one is 331.12 g/mol.
Where can I buy 3-(4-ethylpiperazine-1-carbonyl)-6-nitro-2H-chromen-2-one?
You can request a quote for 3-(4-ethylpiperazine-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-ethylpiperazine-1-carbonyl)-6-nitro-2H-chromen-2-one?
Yes, KEHONG BIO provides custom synthesis services for 3-(4-ethylpiperazine-1-carbonyl)-6-nitro-2H-chromen-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.