3-Nitro-4-m-tolylamino-chromen-2-one
TL;DR: 3-Nitro-4-m-tolylamino-chromen-2-one (CAS 797797-38-7) is a chemical compound with molecular formula C16H12N2O4 and molecular weight 296.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(3-methylanilino)-3-nitrochromen-2-one
Also Known As: 3-Nitro-4-m-tolylamino-chromen-2-one, 3-nitro-4-(m-tolylamino)-2H-chromen-2-one, 4-(3-methylanilino)-3-nitrochromen-2-one, (4E)-4-[(3-methylphenyl)imino]-3-nitro-4H-chromen-2-ol
| Molecular Formula | C16H12N2O4 |
|---|---|
| Molecular Weight | 296.08 g/mol |
| LogP | 3.75322 |
| Topological Polar Surface Area | 85.38 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 296.0797 |
| Heavy Atoms | 22 |
| Complexity | 930.82227 |
Chemical Identifiers
| CAS Number | 797797-38-7 |
|---|---|
| SMILES | CC1=CC(=CC=C1)NC2=C(C(=O)OC3=CC=CC=C32)[N+](=O)[O-] |
Product Overview
3-Nitro-4-m-tolylamino-chromen-2-one (CAS 797797-38-7), with molecular formula C16H12N2O4 and molecular weight 296.08 g/mol. IUPAC: 4-(3-methylanilino)-3-nitrochromen-2-one.
Chemical Property Profile of 3-Nitro-4-m-tolylamino-chromen-2-one
Property Insights of 3-Nitro-4-m-tolylamino-chromen-2-one
The XLogP value of 3.75322 indicates that 3-Nitro-4-m-tolylamino-chromen-2-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 85.38 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Nitro-4-m-tolylamino-chromen-2-one. Following Lipinski's Rule of Five, 3-Nitro-4-m-tolylamino-chromen-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 3-Nitro-4-m-tolylamino-chromen-2-one?
The CAS number of 3-Nitro-4-m-tolylamino-chromen-2-one is 797797-38-7.
What is the molecular formula of 3-Nitro-4-m-tolylamino-chromen-2-one?
The molecular formula of 3-Nitro-4-m-tolylamino-chromen-2-one is C16H12N2O4.
What is the molecular weight of 3-Nitro-4-m-tolylamino-chromen-2-one?
The molecular weight of 3-Nitro-4-m-tolylamino-chromen-2-one is 296.08 g/mol.
Where can I buy 3-Nitro-4-m-tolylamino-chromen-2-one?
You can request a quote for 3-Nitro-4-m-tolylamino-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-Nitro-4-m-tolylamino-chromen-2-one?
Yes, KEHONG BIO provides custom synthesis services for 3-Nitro-4-m-tolylamino-chromen-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.