3-Chlorobenzidine
TL;DR: 3-Chlorobenzidine (CAS 63390-10-3) is a chemical compound with molecular formula C12H11ClN2 and molecular weight 218.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(4-aminophenyl)-2-chloroaniline
Also Known As: 3-Chlorobenzidine, 3-Monochlorobenzidine, 4-(4-aminophenyl)-2-chloroaniline, 3-Chloro-(1,1'-biphenyl)-4,4'-diamine, (1,1'-BIPHENYL)-4,4'-DIAMINE, 3-CHLORO-
| Molecular Formula | C12H11ClN2 |
|---|---|
| Molecular Weight | 218.06 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 52.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 218.06108 |
| Heavy Atoms | 15 |
| Complexity | 202.0 |
Chemical Identifiers
| CAS Number | 63390-10-3 |
|---|---|
| SMILES | C1=CC(=CC=C1C2=CC(=C(C=C2)N)Cl)N |
| InChIKey | QPVKGHLRLBAUIM-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 8 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Chlorobenzidine (CAS 63390-10-3), with molecular formula C12H11ClN2 and molecular weight 218.06 g/mol. IUPAC: 4-(4-aminophenyl)-2-chloroaniline.
Chemical Property Profile of 3-Chlorobenzidine
Property Insights of 3-Chlorobenzidine
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Chlorobenzidine. With a topological polar surface area (TPSA) of 52.0 Ų, 3-Chlorobenzidine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Chlorobenzidine has 2 hydrogen bond donor(s) and 2 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 3-Chlorobenzidine?
The CAS number of 3-Chlorobenzidine is 63390-10-3.
What is the molecular formula of 3-Chlorobenzidine?
The molecular formula of 3-Chlorobenzidine is C12H11ClN2.
What is the molecular weight of 3-Chlorobenzidine?
The molecular weight of 3-Chlorobenzidine is 218.06 g/mol.
Where can I buy 3-Chlorobenzidine?
You can request a quote for 3-Chlorobenzidine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Chlorobenzidine?
Yes, KEHONG BIO provides custom synthesis services for 3-Chlorobenzidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.