5-Chloro-3-nitro-1,2-benzenediamine
TL;DR: 5-Chloro-3-nitro-1,2-benzenediamine (CAS 42389-30-0) is a chemical compound with molecular formula C6H6ClN3O2 and molecular weight 187.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-chloro-3-nitrobenzene-1,2-diamine
Also Known As: 5-chloro-3-nitrobenzene-1,2-diamine, 5-Chloro-3-nitro-o-phenylenediamine, 1,2-Benzenediamine, 5-chloro-3-nitro-, EINECS 255-792-2, 5-CHLORO-3-NITRO-1,2-BENZENEDIAMINE
| Molecular Formula | C6H6ClN3O2 |
|---|---|
| Molecular Weight | 187.01 g/mol |
| LogP | 1.4126 |
| Topological Polar Surface Area | 95.18 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 187.01485 |
| Heavy Atoms | 12 |
| Complexity | 339.81024 |
Chemical Identifiers
| CAS Number | 42389-30-0 |
|---|---|
| SMILES | C1=C(C=C(C(=C1N)N)[N+](=O)[O-])Cl |
Product Overview
5-Chloro-3-nitro-1,2-benzenediamine (CAS 42389-30-0), with molecular formula C6H6ClN3O2 and molecular weight 187.01 g/mol. IUPAC: 5-chloro-3-nitrobenzene-1,2-diamine.
Chemical Property Profile of 5-Chloro-3-nitro-1,2-benzenediamine
Property Insights of 5-Chloro-3-nitro-1,2-benzenediamine
The XLogP value of 1.4126 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Chloro-3-nitro-1,2-benzenediamine. The TPSA of 95.18 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-Chloro-3-nitro-1,2-benzenediamine. Following Lipinski's Rule of Five, 5-Chloro-3-nitro-1,2-benzenediamine has 2 hydrogen bond donor(s) and 4 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 5-Chloro-3-nitro-1,2-benzenediamine?
The CAS number of 5-Chloro-3-nitro-1,2-benzenediamine is 42389-30-0.
What is the molecular formula of 5-Chloro-3-nitro-1,2-benzenediamine?
The molecular formula of 5-Chloro-3-nitro-1,2-benzenediamine is C6H6ClN3O2.
What is the molecular weight of 5-Chloro-3-nitro-1,2-benzenediamine?
The molecular weight of 5-Chloro-3-nitro-1,2-benzenediamine is 187.01 g/mol.
Where can I buy 5-Chloro-3-nitro-1,2-benzenediamine?
You can request a quote for 5-Chloro-3-nitro-1,2-benzenediamine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Chloro-3-nitro-1,2-benzenediamine?
Yes, KEHONG BIO provides custom synthesis services for 5-Chloro-3-nitro-1,2-benzenediamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.