4-Amino-3-nitro-2H-1-benzopyran-2-one
TL;DR: 4-Amino-3-nitro-2H-1-benzopyran-2-one (CAS 38464-21-0) is a chemical compound with molecular formula C9H6N2O4 and molecular weight 206.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-amino-3-nitrochromen-2-one
Also Known As: 4-amino-3-nitro-2H-chromen-2-one, 4-amino-3-nitrochromen-2-one, 4-Amino-3-nitrocoumarin, 3-nitro-4-aminocoumarin, Maybridge1_005265
| Molecular Formula | C9H6N2O4 |
|---|---|
| Molecular Weight | 206.03 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 98.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 0 |
| Exact Mass | 206.03276 |
| Heavy Atoms | 15 |
| Complexity | 345.0 |
| Solubility | >30.9 [ug/mL] (The mean of the results at pH 7.4) |
Chemical Identifiers
| CAS Number | 38464-21-0 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=C(C(=O)O2)[N+](=O)[O-])N |
| InChIKey | FXAVOHDJSAUTTG-UHFFFAOYSA-N |
Product Overview
4-Amino-3-nitro-2H-1-benzopyran-2-one (CAS 38464-21-0), with molecular formula C9H6N2O4 and molecular weight 206.03 g/mol. IUPAC: 4-amino-3-nitrochromen-2-one.
Chemical Property Profile of 4-Amino-3-nitro-2H-1-benzopyran-2-one
Property Insights of 4-Amino-3-nitro-2H-1-benzopyran-2-one
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Amino-3-nitro-2H-1-benzopyran-2-one. The TPSA of 98.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Amino-3-nitro-2H-1-benzopyran-2-one. Following Lipinski's Rule of Five, 4-Amino-3-nitro-2H-1-benzopyran-2-one 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-Amino-3-nitro-2H-1-benzopyran-2-one?
The CAS number of 4-Amino-3-nitro-2H-1-benzopyran-2-one is 38464-21-0.
What is the molecular formula of 4-Amino-3-nitro-2H-1-benzopyran-2-one?
The molecular formula of 4-Amino-3-nitro-2H-1-benzopyran-2-one is C9H6N2O4.
What is the molecular weight of 4-Amino-3-nitro-2H-1-benzopyran-2-one?
The molecular weight of 4-Amino-3-nitro-2H-1-benzopyran-2-one is 206.03 g/mol.
Where can I buy 4-Amino-3-nitro-2H-1-benzopyran-2-one?
You can request a quote for 4-Amino-3-nitro-2H-1-benzopyran-2-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Amino-3-nitro-2H-1-benzopyran-2-one?
Yes, KEHONG BIO provides custom synthesis services for 4-Amino-3-nitro-2H-1-benzopyran-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.