![2H-1-Benzopyran-2-one, 4-[(4-bromophenyl)amino]-3-nitro- structure](/static/products/1130/113003-09-1.webp)
2H-1-Benzopyran-2-one, 4-[(4-bromophenyl)amino]-3-nitro-
TL;DR: 2H-1-Benzopyran-2-one, 4-[(4-bromophenyl)amino]-3-nitro- (CAS 113003-09-1) is a chemical compound with molecular formula C15H9BrN2O4 and molecular weight 359.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(4-bromoanilino)-3-nitrochromen-2-one
Also Known As: 4-(4-bromoanilino)-3-nitrochromen-2-one, 2H-1-Benzopyran-2-one, 4-[(4-bromophenyl)amino]-3-nitro-, BAS 01052274, 4-(4-bromoanilino)-3-nitro-2H-chromen-2-one, 4-(4-Bromo-phenylamino)-3-nitro-chromen-2-one
| Molecular Formula | C15H9BrN2O4 |
|---|---|
| Molecular Weight | 359.97 g/mol |
| LogP | 4.2073 |
| Topological Polar Surface Area | 85.38 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 359.97458 |
| Heavy Atoms | 22 |
| Complexity | 918.96893 |
Chemical Identifiers
| CAS Number | 113003-09-1 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=C(C(=O)O2)[N+](=O)[O-])NC3=CC=C(C=C3)Br |
Product Overview
2H-1-Benzopyran-2-one, 4-[(4-bromophenyl)amino]-3-nitro- (CAS 113003-09-1), with molecular formula C15H9BrN2O4 and molecular weight 359.97 g/mol. IUPAC: 4-(4-bromoanilino)-3-nitrochromen-2-one.
Chemical Property Profile of 2H-1-Benzopyran-2-one, 4-[(4-bromophenyl)amino]-3-nitro-
Property Insights of 2H-1-Benzopyran-2-one, 4-[(4-bromophenyl)amino]-3-nitro-
The XLogP value of 4.2073 indicates that 2H-1-Benzopyran-2-one, 4-[(4-bromophenyl)amino]-3-nitro- 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 2H-1-Benzopyran-2-one, 4-[(4-bromophenyl)amino]-3-nitro-. Following Lipinski's Rule of Five, 2H-1-Benzopyran-2-one, 4-[(4-bromophenyl)amino]-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 2H-1-Benzopyran-2-one, 4-[(4-bromophenyl)amino]-3-nitro-?
The CAS number of 2H-1-Benzopyran-2-one, 4-[(4-bromophenyl)amino]-3-nitro- is 113003-09-1.
What is the molecular formula of 2H-1-Benzopyran-2-one, 4-[(4-bromophenyl)amino]-3-nitro-?
The molecular formula of 2H-1-Benzopyran-2-one, 4-[(4-bromophenyl)amino]-3-nitro- is C15H9BrN2O4.
What is the molecular weight of 2H-1-Benzopyran-2-one, 4-[(4-bromophenyl)amino]-3-nitro-?
The molecular weight of 2H-1-Benzopyran-2-one, 4-[(4-bromophenyl)amino]-3-nitro- is 359.97 g/mol.
Where can I buy 2H-1-Benzopyran-2-one, 4-[(4-bromophenyl)amino]-3-nitro-?
You can request a quote for 2H-1-Benzopyran-2-one, 4-[(4-bromophenyl)amino]-3-nitro- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2H-1-Benzopyran-2-one, 4-[(4-bromophenyl)amino]-3-nitro-?
Yes, KEHONG BIO provides custom synthesis services for 2H-1-Benzopyran-2-one, 4-[(4-bromophenyl)amino]-3-nitro- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.