4-(2-Hydroxy-5-methylanilino)-3-nitrochromen-2-one
TL;DR: 4-(2-Hydroxy-5-methylanilino)-3-nitrochromen-2-one (CAS 330216-46-1) is a chemical compound with molecular formula C16H12N2O5 and molecular weight 312.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(2-hydroxy-5-methylanilino)-3-nitrochromen-2-one
Also Known As: BIM-0006705.P001, 4-(2-hydroxy-5-methylanilino)-3-nitrochromen-2-one, AB00099230-01, 4-((2-hydroxy-5-methylphenyl)amino)-3-nitro-2H-chromen-2-one, 4-[(2-hydroxy-5-methylphenyl)amino]-3-nitro-2H-chromen-2-one
| Molecular Formula | C16H12N2O5 |
|---|---|
| Molecular Weight | 312.07 g/mol |
| LogP | 3.45882 |
| Topological Polar Surface Area | 105.61 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 312.07462 |
| Heavy Atoms | 23 |
| Complexity | 977.8568 |
Chemical Identifiers
| CAS Number | 330216-46-1 |
|---|---|
| SMILES | CC1=CC(=C(C=C1)O)NC2=C(C(=O)OC3=CC=CC=C32)[N+](=O)[O-] |
Product Overview
4-(2-Hydroxy-5-methylanilino)-3-nitrochromen-2-one (CAS 330216-46-1), with molecular formula C16H12N2O5 and molecular weight 312.07 g/mol. IUPAC: 4-(2-hydroxy-5-methylanilino)-3-nitrochromen-2-one.
Chemical Property Profile of 4-(2-Hydroxy-5-methylanilino)-3-nitrochromen-2-one
Property Insights of 4-(2-Hydroxy-5-methylanilino)-3-nitrochromen-2-one
The XLogP value of 3.45882 indicates that 4-(2-Hydroxy-5-methylanilino)-3-nitrochromen-2-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 105.61 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(2-Hydroxy-5-methylanilino)-3-nitrochromen-2-one. Following Lipinski's Rule of Five, 4-(2-Hydroxy-5-methylanilino)-3-nitrochromen-2-one has 2 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 4-(2-Hydroxy-5-methylanilino)-3-nitrochromen-2-one?
The CAS number of 4-(2-Hydroxy-5-methylanilino)-3-nitrochromen-2-one is 330216-46-1.
What is the molecular formula of 4-(2-Hydroxy-5-methylanilino)-3-nitrochromen-2-one?
The molecular formula of 4-(2-Hydroxy-5-methylanilino)-3-nitrochromen-2-one is C16H12N2O5.
What is the molecular weight of 4-(2-Hydroxy-5-methylanilino)-3-nitrochromen-2-one?
The molecular weight of 4-(2-Hydroxy-5-methylanilino)-3-nitrochromen-2-one is 312.07 g/mol.
Where can I buy 4-(2-Hydroxy-5-methylanilino)-3-nitrochromen-2-one?
You can request a quote for 4-(2-Hydroxy-5-methylanilino)-3-nitrochromen-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-(2-Hydroxy-5-methylanilino)-3-nitrochromen-2-one?
Yes, KEHONG BIO provides custom synthesis services for 4-(2-Hydroxy-5-methylanilino)-3-nitrochromen-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.