1,4-Benzenediamine, 2-nitro-, sulfate (1:1)
TL;DR: 1,4-Benzenediamine, 2-nitro-, sulfate (1:1) (CAS 68239-83-8) is a chemical compound with molecular formula C6H9N3O6S and molecular weight 251.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-nitrobenzene-1,4-diamine;sulfuric acid
Also Known As: 2-Nitrobenzene-1,4-diamine sulfate, 2-NITRO-1,4-BENZENEDIAMINE SULFATE, RODOL BROWN 2RS, 2-nitro-p-phenylenediamine sulfate, 1,4-Benzenediamine, 2-nitro-, sulfate (1:1)
| Molecular Formula | C6H9N3O6S |
|---|---|
| Molecular Weight | 251.02 g/mol |
| LogP | 0.1064 |
| Topological Polar Surface Area | 169.78 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 1 |
| Exact Mass | 251.02121 |
| Heavy Atoms | 16 |
| Complexity | 477.0373 |
Chemical Identifiers
| CAS Number | 68239-83-8 |
|---|---|
| SMILES | C1=CC(=C(C=C1N)[N+](=O)[O-])N.OS(=O)(=O)O |
Product Overview
1,4-Benzenediamine, 2-nitro-, sulfate (1:1) (CAS 68239-83-8), with molecular formula C6H9N3O6S and molecular weight 251.02 g/mol. IUPAC: 2-nitrobenzene-1,4-diamine;sulfuric acid.
Chemical Property Profile of 1,4-Benzenediamine, 2-nitro-, sulfate (1:1)
Property Insights of 1,4-Benzenediamine, 2-nitro-, sulfate (1:1)
The XLogP value of 0.1064 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,4-Benzenediamine, 2-nitro-, sulfate (1:1). The TPSA of 169.78 Ų indicates high polarity, suggesting 1,4-Benzenediamine, 2-nitro-, sulfate (1:1) may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 1,4-Benzenediamine, 2-nitro-, sulfate (1:1) has 4 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 1,4-Benzenediamine, 2-nitro-, sulfate (1:1)?
The CAS number of 1,4-Benzenediamine, 2-nitro-, sulfate (1:1) is 68239-83-8.
What is the molecular formula of 1,4-Benzenediamine, 2-nitro-, sulfate (1:1)?
The molecular formula of 1,4-Benzenediamine, 2-nitro-, sulfate (1:1) is C6H9N3O6S.
What is the molecular weight of 1,4-Benzenediamine, 2-nitro-, sulfate (1:1)?
The molecular weight of 1,4-Benzenediamine, 2-nitro-, sulfate (1:1) is 251.02 g/mol.
Where can I buy 1,4-Benzenediamine, 2-nitro-, sulfate (1:1)?
You can request a quote for 1,4-Benzenediamine, 2-nitro-, sulfate (1:1) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,4-Benzenediamine, 2-nitro-, sulfate (1:1)?
Yes, KEHONG BIO provides custom synthesis services for 1,4-Benzenediamine, 2-nitro-, sulfate (1:1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.