4-NITRO-2-AMINOBENZENESULFONIC ACID
TL;DR: 4-NITRO-2-AMINOBENZENESULFONIC ACID (CAS 606485-36-3) is a chemical compound with molecular formula C23H24BrFN4O3 and molecular weight 502.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-[[3-ethoxy-4-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]acetamide
Also Known As: 4-NITRO-2-AMINOBENZENESULFONIC ACID, 2-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-[[3-ethoxy-4-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]acetamide
| Molecular Formula | C23H24BrFN4O3 |
|---|---|
| Molecular Weight | 502.10 g/mol |
| LogP | 4.52954 |
| Topological Polar Surface Area | 77.74 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 9 |
| Exact Mass | 502.1016 |
| Heavy Atoms | 32 |
| Complexity | 1130.4244 |
Chemical Identifiers
| CAS Number | 606485-36-3 |
|---|---|
| SMILES | CCOC1=C(C=CC(=C1)C=NNC(=O)CN2C(=C(C(=N2)C)Br)C)OCC3=CC=CC=C3F |
Product Overview
4-NITRO-2-AMINOBENZENESULFONIC ACID (CAS 606485-36-3), with molecular formula C23H24BrFN4O3 and molecular weight 502.10 g/mol. IUPAC: 2-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-[[3-ethoxy-4-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]acetamide.
Chemical Property Profile of 4-NITRO-2-AMINOBENZENESULFONIC ACID
Property Insights of 4-NITRO-2-AMINOBENZENESULFONIC ACID
The XLogP value of 4.52954 indicates that 4-NITRO-2-AMINOBENZENESULFONIC ACID is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 77.74 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-NITRO-2-AMINOBENZENESULFONIC ACID. Following Lipinski's Rule of Five, 4-NITRO-2-AMINOBENZENESULFONIC ACID has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4-NITRO-2-AMINOBENZENESULFONIC ACID?
The CAS number of 4-NITRO-2-AMINOBENZENESULFONIC ACID is 606485-36-3.
What is the molecular formula of 4-NITRO-2-AMINOBENZENESULFONIC ACID?
The molecular formula of 4-NITRO-2-AMINOBENZENESULFONIC ACID is C23H24BrFN4O3.
What is the molecular weight of 4-NITRO-2-AMINOBENZENESULFONIC ACID?
The molecular weight of 4-NITRO-2-AMINOBENZENESULFONIC ACID is 502.10 g/mol.
Where can I buy 4-NITRO-2-AMINOBENZENESULFONIC ACID?
You can request a quote for 4-NITRO-2-AMINOBENZENESULFONIC ACID directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-NITRO-2-AMINOBENZENESULFONIC ACID?
Yes, KEHONG BIO provides custom synthesis services for 4-NITRO-2-AMINOBENZENESULFONIC ACID and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.