Coumarin, 4-anilino-3-nitro-
TL;DR: Coumarin, 4-anilino-3-nitro- (CAS 50527-30-5) is a chemical compound with molecular formula C15H10N2O4 and molecular weight 282.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-anilino-3-nitrochromen-2-one
Also Known As: 4-Anilino-3-nitrocoumarin, COUMARIN, 4-ANILINO-3-NITRO-, 4-anilino-3-nitrochromen-2-one, 3-nitro-4-(phenylamino)-2H-chromen-2-one, 3-Nitro-4-phenylamino-chromen-2-one
| Molecular Formula | C15H10N2O4 |
|---|---|
| Molecular Weight | 282.06 g/mol |
| LogP | 3.8 |
| Topological Polar Surface Area | 84.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 282.06406 |
| Heavy Atoms | 21 |
| Complexity | 463.0 |
Chemical Identifiers
| CAS Number | 50527-30-5 |
|---|---|
| SMILES | C1=CC=C(C=C1)NC2=C(C(=O)OC3=CC=CC=C32)[N+](=O)[O-] |
| InChIKey | PUDUMDVYKGGXBP-UHFFFAOYSA-N |
Product Overview
Coumarin, 4-anilino-3-nitro- (CAS 50527-30-5), with molecular formula C15H10N2O4 and molecular weight 282.06 g/mol. IUPAC: 4-anilino-3-nitrochromen-2-one.
Chemical Property Profile of Coumarin, 4-anilino-3-nitro-
Property Insights of Coumarin, 4-anilino-3-nitro-
The XLogP value of 3.8 indicates that Coumarin, 4-anilino-3-nitro- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 84.2 Ų falls within the moderate polarity range, balancing permeability and solubility for Coumarin, 4-anilino-3-nitro-. Following Lipinski's Rule of Five, Coumarin, 4-anilino-3-nitro- 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, 4-anilino-3-nitro-?
The CAS number of Coumarin, 4-anilino-3-nitro- is 50527-30-5.
What is the molecular formula of Coumarin, 4-anilino-3-nitro-?
The molecular formula of Coumarin, 4-anilino-3-nitro- is C15H10N2O4.
What is the molecular weight of Coumarin, 4-anilino-3-nitro-?
The molecular weight of Coumarin, 4-anilino-3-nitro- is 282.06 g/mol.
Where can I buy Coumarin, 4-anilino-3-nitro-?
You can request a quote for Coumarin, 4-anilino-3-nitro- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Coumarin, 4-anilino-3-nitro-?
Yes, KEHONG BIO provides custom synthesis services for Coumarin, 4-anilino-3-nitro- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.