2,5-Dichloroanilinium chloride
TL;DR: 2,5-Dichloroanilinium chloride (CAS 33663-41-1) is a chemical compound with molecular formula C6H6Cl3N and molecular weight 196.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,5-dichloroaniline;hydrochloride
Also Known As: 2,5-Dichloroanilinium chloride, 2,5-dichloroaniline hydrochloride, 2,5-dichloroaniline;hydrochloride, 2,5-dichloroaniline HCl, 2,5-dichloroanilinehydrochloride
| Molecular Formula | C6H6Cl3N |
|---|---|
| Molecular Weight | 196.96 g/mol |
| LogP | 2.9974 |
| Topological Polar Surface Area | 26.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 196.95659 |
| Heavy Atoms | 10 |
| Complexity | 97.0 |
Chemical Identifiers
| CAS Number | 33663-41-1 |
|---|---|
| SMILES | C1=CC(=C(C=C1Cl)N)Cl.Cl |
| InChIKey | ZALVJCYWUBQENP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 8 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2,5-Dichloroanilinium chloride (CAS 33663-41-1), with molecular formula C6H6Cl3N and molecular weight 196.96 g/mol. IUPAC: 2,5-dichloroaniline;hydrochloride.
Chemical Property Profile of 2,5-Dichloroanilinium chloride
Property Insights of 2,5-Dichloroanilinium chloride
The XLogP value of 2.9974 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,5-Dichloroanilinium chloride. With a topological polar surface area (TPSA) of 26.0 Ų, 2,5-Dichloroanilinium chloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,5-Dichloroanilinium chloride has 2 hydrogen bond donor(s) and 1 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 2,5-Dichloroanilinium chloride?
The CAS number of 2,5-Dichloroanilinium chloride is 33663-41-1.
What is the molecular formula of 2,5-Dichloroanilinium chloride?
The molecular formula of 2,5-Dichloroanilinium chloride is C6H6Cl3N.
What is the molecular weight of 2,5-Dichloroanilinium chloride?
The molecular weight of 2,5-Dichloroanilinium chloride is 196.96 g/mol.
Where can I buy 2,5-Dichloroanilinium chloride?
You can request a quote for 2,5-Dichloroanilinium chloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,5-Dichloroanilinium chloride?
Yes, KEHONG BIO provides custom synthesis services for 2,5-Dichloroanilinium chloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.