Coumarin, 3-nitro-4-(4-phenyl-1-piperazinyl)-
TL;DR: Coumarin, 3-nitro-4-(4-phenyl-1-piperazinyl)- (CAS 51685-34-8) is a chemical compound with molecular formula C19H17N3O4 and molecular weight 351.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-nitro-4-(4-phenylpiperazin-1-yl)chromen-2-one
Also Known As: 3-Nitro-4-(4-phenyl-1-piperazinyl)coumarin, 3-nitro-4-(4-phenylpiperazin-1-yl)chromen-2-one, COUMARIN, 3-NITRO-4-(4-PHENYL-1-PIPERAZINYL)-, BAS 01052290, 3-nitro-4-(4-phenylpiperazin-1-yl)-2H-chromen-2-one
| Molecular Formula | C19H17N3O4 |
|---|---|
| Molecular Weight | 351.12 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 78.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 351.12192 |
| Heavy Atoms | 26 |
| Complexity | 586.0 |
Chemical Identifiers
| CAS Number | 51685-34-8 |
|---|---|
| SMILES | C1CN(CCN1C2=CC=CC=C2)C3=C(C(=O)OC4=CC=CC=C43)[N+](=O)[O-] |
| InChIKey | GIOHJKNNGCQEIU-UHFFFAOYSA-N |
Product Overview
Coumarin, 3-nitro-4-(4-phenyl-1-piperazinyl)- (CAS 51685-34-8), with molecular formula C19H17N3O4 and molecular weight 351.12 g/mol. IUPAC: 3-nitro-4-(4-phenylpiperazin-1-yl)chromen-2-one.
Chemical Property Profile of Coumarin, 3-nitro-4-(4-phenyl-1-piperazinyl)-
Property Insights of Coumarin, 3-nitro-4-(4-phenyl-1-piperazinyl)-
The XLogP value of 3.4 indicates that Coumarin, 3-nitro-4-(4-phenyl-1-piperazinyl)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 78.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Coumarin, 3-nitro-4-(4-phenyl-1-piperazinyl)-. Following Lipinski's Rule of Five, Coumarin, 3-nitro-4-(4-phenyl-1-piperazinyl)- 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 Coumarin, 3-nitro-4-(4-phenyl-1-piperazinyl)-?
The CAS number of Coumarin, 3-nitro-4-(4-phenyl-1-piperazinyl)- is 51685-34-8.
What is the molecular formula of Coumarin, 3-nitro-4-(4-phenyl-1-piperazinyl)-?
The molecular formula of Coumarin, 3-nitro-4-(4-phenyl-1-piperazinyl)- is C19H17N3O4.
What is the molecular weight of Coumarin, 3-nitro-4-(4-phenyl-1-piperazinyl)-?
The molecular weight of Coumarin, 3-nitro-4-(4-phenyl-1-piperazinyl)- is 351.12 g/mol.
Where can I buy Coumarin, 3-nitro-4-(4-phenyl-1-piperazinyl)-?
You can request a quote for Coumarin, 3-nitro-4-(4-phenyl-1-piperazinyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Coumarin, 3-nitro-4-(4-phenyl-1-piperazinyl)-?
Yes, KEHONG BIO provides custom synthesis services for Coumarin, 3-nitro-4-(4-phenyl-1-piperazinyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.