Coumarin, 3-amino-4-(4-phenyl-1-piperazinyl)-
TL;DR: Coumarin, 3-amino-4-(4-phenyl-1-piperazinyl)- (CAS 69405-48-7) is a chemical compound with molecular formula C19H19N3O2 and molecular weight 321.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-amino-4-(4-phenylpiperazin-1-yl)chromen-2-one
Also Known As: TimTec1_000338, 3-Amino-4-(4-phenyl-1-piperazinyl)coumarin, 3-amino-4-(4-phenylpiperazin-1-yl)chromen-2-one, 3-amino-4-(4-phenylpiperazin-1-yl)-2H-chromen-2-one, 3-amino-4-(4-phenylpiperazino)coumarin
| Molecular Formula | C19H19N3O2 |
|---|---|
| Molecular Weight | 321.15 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 58.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 321.14774 |
| Heavy Atoms | 24 |
| Complexity | 505.0 |
Chemical Identifiers
| CAS Number | 69405-48-7 |
|---|---|
| SMILES | C1CN(CCN1C2=CC=CC=C2)C3=C(C(=O)OC4=CC=CC=C43)N |
| InChIKey | JMMKNFSLHJYTGJ-UHFFFAOYSA-N |
Product Overview
Coumarin, 3-amino-4-(4-phenyl-1-piperazinyl)- (CAS 69405-48-7), with molecular formula C19H19N3O2 and molecular weight 321.15 g/mol. IUPAC: 3-amino-4-(4-phenylpiperazin-1-yl)chromen-2-one.
Chemical Property Profile of Coumarin, 3-amino-4-(4-phenyl-1-piperazinyl)-
Property Insights of Coumarin, 3-amino-4-(4-phenyl-1-piperazinyl)-
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Coumarin, 3-amino-4-(4-phenyl-1-piperazinyl)-. With a topological polar surface area (TPSA) of 58.8 Ų, Coumarin, 3-amino-4-(4-phenyl-1-piperazinyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Coumarin, 3-amino-4-(4-phenyl-1-piperazinyl)- has 1 hydrogen bond donor(s) and 5 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-amino-4-(4-phenyl-1-piperazinyl)-?
The CAS number of Coumarin, 3-amino-4-(4-phenyl-1-piperazinyl)- is 69405-48-7.
What is the molecular formula of Coumarin, 3-amino-4-(4-phenyl-1-piperazinyl)-?
The molecular formula of Coumarin, 3-amino-4-(4-phenyl-1-piperazinyl)- is C19H19N3O2.
What is the molecular weight of Coumarin, 3-amino-4-(4-phenyl-1-piperazinyl)-?
The molecular weight of Coumarin, 3-amino-4-(4-phenyl-1-piperazinyl)- is 321.15 g/mol.
Where can I buy Coumarin, 3-amino-4-(4-phenyl-1-piperazinyl)-?
You can request a quote for Coumarin, 3-amino-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-amino-4-(4-phenyl-1-piperazinyl)-?
Yes, KEHONG BIO provides custom synthesis services for Coumarin, 3-amino-4-(4-phenyl-1-piperazinyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.