1,2-Benzenediamine, 4-chloro-, sulfate (1:1)
TL;DR: 1,2-Benzenediamine, 4-chloro-, sulfate (1:1) (CAS 68459-98-3) is a chemical compound with molecular formula C6H9ClN2O4S and molecular weight 240.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-chlorobenzene-1,2-diamine;sulfuric acid
Also Known As: 1,2-Benzenediamine, 4-chloro-, sulfate (1:1), 4-chloro-1,2-benzenediamine sulfate, 4-Chloro-o-phenylenediamine, monosulfate, 4-Chlorobenzene-1,2-diammonium sulphate, 4-chlorobenzene-1,2-diamine;sulfuric acid
| Molecular Formula | C6H9ClN2O4S |
|---|---|
| Molecular Weight | 240.00 g/mol |
| LogP | 0.85 |
| Topological Polar Surface Area | 135.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 0 |
| Exact Mass | 239.99716 |
| Heavy Atoms | 14 |
| Complexity | 178.0 |
Chemical Identifiers
| CAS Number | 68459-98-3 |
|---|---|
| SMILES | C1=CC(=C(C=C1Cl)N)N.OS(=O)(=O)O |
| InChIKey | QLBNVFYDSCHETM-UHFFFAOYSA-N |
Product Overview
1,2-Benzenediamine, 4-chloro-, sulfate (1:1) (CAS 68459-98-3), with molecular formula C6H9ClN2O4S and molecular weight 240.00 g/mol. IUPAC: 4-chlorobenzene-1,2-diamine;sulfuric acid.
Chemical Property Profile of 1,2-Benzenediamine, 4-chloro-, sulfate (1:1)
Property Insights of 1,2-Benzenediamine, 4-chloro-, sulfate (1:1)
The XLogP value of 0.85 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,2-Benzenediamine, 4-chloro-, sulfate (1:1). The TPSA of 135.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,2-Benzenediamine, 4-chloro-, sulfate (1:1). Following Lipinski's Rule of Five, 1,2-Benzenediamine, 4-chloro-, 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 1,2-Benzenediamine, 4-chloro-, sulfate (1:1)?
The CAS number of 1,2-Benzenediamine, 4-chloro-, sulfate (1:1) is 68459-98-3.
What is the molecular formula of 1,2-Benzenediamine, 4-chloro-, sulfate (1:1)?
The molecular formula of 1,2-Benzenediamine, 4-chloro-, sulfate (1:1) is C6H9ClN2O4S.
What is the molecular weight of 1,2-Benzenediamine, 4-chloro-, sulfate (1:1)?
The molecular weight of 1,2-Benzenediamine, 4-chloro-, sulfate (1:1) is 240.00 g/mol.
Where can I buy 1,2-Benzenediamine, 4-chloro-, sulfate (1:1)?
You can request a quote for 1,2-Benzenediamine, 4-chloro-, 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 1,2-Benzenediamine, 4-chloro-, sulfate (1:1)?
Yes, KEHONG BIO provides custom synthesis services for 1,2-Benzenediamine, 4-chloro-, sulfate (1:1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.