2,4-Dinitro-5-phenylsulfanylaniline
TL;DR: 2,4-Dinitro-5-phenylsulfanylaniline (CAS 53488-26-9) is a chemical compound with molecular formula C12H9N3O4S and molecular weight 291.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,4-dinitro-5-phenylsulfanylaniline
Also Known As: 2,4-dinitro-5-phenylsulfanylaniline, 2,4-dinitro-5-(phenylthio)benzenamine, 2,4-dinitro-5-phenylsulfanyl-aniline
| Molecular Formula | C12H9N3O4S |
|---|---|
| Molecular Weight | 291.03 g/mol |
| LogP | 3.2364 |
| Topological Polar Surface Area | 112.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 291.03137 |
| Heavy Atoms | 20 |
| Complexity | 675.9027 |
Chemical Identifiers
| CAS Number | 53488-26-9 |
|---|---|
| SMILES | C1=CC=C(C=C1)SC2=C(C=C(C(=C2)N)[N+](=O)[O-])[N+](=O)[O-] |
Product Overview
2,4-Dinitro-5-phenylsulfanylaniline (CAS 53488-26-9), with molecular formula C12H9N3O4S and molecular weight 291.03 g/mol. IUPAC: 2,4-dinitro-5-phenylsulfanylaniline.
Chemical Property Profile of 2,4-Dinitro-5-phenylsulfanylaniline
Property Insights of 2,4-Dinitro-5-phenylsulfanylaniline
The XLogP value of 3.2364 indicates that 2,4-Dinitro-5-phenylsulfanylaniline is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 112.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 2,4-Dinitro-5-phenylsulfanylaniline. Following Lipinski's Rule of Five, 2,4-Dinitro-5-phenylsulfanylaniline has 1 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 2,4-Dinitro-5-phenylsulfanylaniline?
The CAS number of 2,4-Dinitro-5-phenylsulfanylaniline is 53488-26-9.
What is the molecular formula of 2,4-Dinitro-5-phenylsulfanylaniline?
The molecular formula of 2,4-Dinitro-5-phenylsulfanylaniline is C12H9N3O4S.
What is the molecular weight of 2,4-Dinitro-5-phenylsulfanylaniline?
The molecular weight of 2,4-Dinitro-5-phenylsulfanylaniline is 291.03 g/mol.
Where can I buy 2,4-Dinitro-5-phenylsulfanylaniline?
You can request a quote for 2,4-Dinitro-5-phenylsulfanylaniline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,4-Dinitro-5-phenylsulfanylaniline?
Yes, KEHONG BIO provides custom synthesis services for 2,4-Dinitro-5-phenylsulfanylaniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.