Benzeneethanesulfonic acid, 4-((3-nitro-9-acridinyl)amino)-
TL;DR: Benzeneethanesulfonic acid, 4-((3-nitro-9-acridinyl)amino)- (CAS 64895-26-7) is a chemical compound with molecular formula C21H17N3O5S and molecular weight 423.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[4-[(3-nitroacridin-9-yl)amino]phenyl]ethanesulfonic acid
Also Known As: Benzeneethanesulfonic acid, 4-((3-nitro-9-acridinyl)amino)-, 4-((3-Nitro-9-acridinyl)amino)benzeneethanesulfonic acid, 2-(4-((3-Nitroacridin-9-yl)amino)phenyl)ethanesulfonic acid, 2-[4-[(3-nitroacridin-9-yl)amino]phenyl]ethanesulfonic acid, Benzeneethanesulfonicacid, 4-[(3-nitro-9-acridinyl)amino]-
| Molecular Formula | C21H17N3O5S |
|---|---|
| Molecular Weight | 423.09 g/mol |
| LogP | 4.0 |
| Topological Polar Surface Area | 133.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 423.0889 |
| Heavy Atoms | 30 |
| Complexity | 698.0 |
Chemical Identifiers
| CAS Number | 64895-26-7 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=C3C=CC(=CC3=N2)[N+](=O)[O-])NC4=CC=C(C=C4)CCS(=O)(=O)O |
| InChIKey | FURPCXISFHRILM-UHFFFAOYSA-N |
Product Overview
Benzeneethanesulfonic acid, 4-((3-nitro-9-acridinyl)amino)- (CAS 64895-26-7), with molecular formula C21H17N3O5S and molecular weight 423.09 g/mol. IUPAC: 2-[4-[(3-nitroacridin-9-yl)amino]phenyl]ethanesulfonic acid.
Chemical Property Profile of Benzeneethanesulfonic acid, 4-((3-nitro-9-acridinyl)amino)-
Property Insights of Benzeneethanesulfonic acid, 4-((3-nitro-9-acridinyl)amino)-
The XLogP value of 4.0 indicates that Benzeneethanesulfonic acid, 4-((3-nitro-9-acridinyl)amino)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 133.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzeneethanesulfonic acid, 4-((3-nitro-9-acridinyl)amino)-. Following Lipinski's Rule of Five, Benzeneethanesulfonic acid, 4-((3-nitro-9-acridinyl)amino)- has 2 hydrogen bond donor(s) and 7 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 Benzeneethanesulfonic acid, 4-((3-nitro-9-acridinyl)amino)-?
The CAS number of Benzeneethanesulfonic acid, 4-((3-nitro-9-acridinyl)amino)- is 64895-26-7.
What is the molecular formula of Benzeneethanesulfonic acid, 4-((3-nitro-9-acridinyl)amino)-?
The molecular formula of Benzeneethanesulfonic acid, 4-((3-nitro-9-acridinyl)amino)- is C21H17N3O5S.
What is the molecular weight of Benzeneethanesulfonic acid, 4-((3-nitro-9-acridinyl)amino)-?
The molecular weight of Benzeneethanesulfonic acid, 4-((3-nitro-9-acridinyl)amino)- is 423.09 g/mol.
Where can I buy Benzeneethanesulfonic acid, 4-((3-nitro-9-acridinyl)amino)-?
You can request a quote for Benzeneethanesulfonic acid, 4-((3-nitro-9-acridinyl)amino)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzeneethanesulfonic acid, 4-((3-nitro-9-acridinyl)amino)-?
Yes, KEHONG BIO provides custom synthesis services for Benzeneethanesulfonic acid, 4-((3-nitro-9-acridinyl)amino)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.