4-Methylamino-3-nitrocoumarin
TL;DR: 4-Methylamino-3-nitrocoumarin (CAS 50527-26-9) is a chemical compound with molecular formula C10H8N2O4 and molecular weight 220.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(methylamino)-3-nitrochromen-2-one
Also Known As: 4-Methylamino-3-nitrocoumarin, 4-(methylamino)-3-nitrochromen-2-one, COUMARIN, 4-METHYLAMINO-3-NITRO-, 4-(methylamino)-3-nitro-2H-chromen-2-one, 4-Methylamino-3-nitro-chromen-2-one
| Molecular Formula | C10H8N2O4 |
|---|---|
| Molecular Weight | 220.05 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 84.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 220.0484 |
| Heavy Atoms | 16 |
| Complexity | 358.0 |
Chemical Identifiers
| CAS Number | 50527-26-9 |
|---|---|
| SMILES | CNC1=C(C(=O)OC2=CC=CC=C21)[N+](=O)[O-] |
| InChIKey | YEMWREDUHDSXOD-UHFFFAOYSA-N |
Product Overview
4-Methylamino-3-nitrocoumarin (CAS 50527-26-9), with molecular formula C10H8N2O4 and molecular weight 220.05 g/mol. IUPAC: 4-(methylamino)-3-nitrochromen-2-one.
Chemical Property Profile of 4-Methylamino-3-nitrocoumarin
Property Insights of 4-Methylamino-3-nitrocoumarin
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Methylamino-3-nitrocoumarin. The TPSA of 84.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Methylamino-3-nitrocoumarin. Following Lipinski's Rule of Five, 4-Methylamino-3-nitrocoumarin 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 4-Methylamino-3-nitrocoumarin?
The CAS number of 4-Methylamino-3-nitrocoumarin is 50527-26-9.
What is the molecular formula of 4-Methylamino-3-nitrocoumarin?
The molecular formula of 4-Methylamino-3-nitrocoumarin is C10H8N2O4.
What is the molecular weight of 4-Methylamino-3-nitrocoumarin?
The molecular weight of 4-Methylamino-3-nitrocoumarin is 220.05 g/mol.
Where can I buy 4-Methylamino-3-nitrocoumarin?
You can request a quote for 4-Methylamino-3-nitrocoumarin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Methylamino-3-nitrocoumarin?
Yes, KEHONG BIO provides custom synthesis services for 4-Methylamino-3-nitrocoumarin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.