4-(2-Benzothiazolyl)-2-chloro-benzenamine
TL;DR: 4-(2-Benzothiazolyl)-2-chloro-benzenamine (CAS 178804-10-9) is a chemical compound with molecular formula C13H9ClN2S and molecular weight 260.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(1,3-benzothiazol-2-yl)-2-chloroaniline
Also Known As: 4-(2-Benzothiazolyl)-2-chloro-benzenamine, 4-(1,3-benzothiazol-2-yl)-2-chloroaniline, 4-(Benzo[d]thiazol-2-yl)-2-chloroaniline, 2-(4'-amino-3'-chlorophenyl)benzothiazole, 2-Chloro-4-(benzothiazol-2-yl)aniline
| Molecular Formula | C13H9ClN2S |
|---|---|
| Molecular Weight | 260.02 g/mol |
| LogP | 4.2 |
| Topological Polar Surface Area | 67.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 260.0175 |
| Heavy Atoms | 17 |
| Complexity | 276.0 |
Chemical Identifiers
| CAS Number | 178804-10-9 |
|---|---|
| SMILES | C1=CC=C2C(=C1)N=C(S2)C3=CC(=C(C=C3)N)Cl |
| InChIKey | VMHNOJKXMWYAGM-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-(2-Benzothiazolyl)-2-chloro-benzenamine (CAS 178804-10-9), with molecular formula C13H9ClN2S and molecular weight 260.02 g/mol. IUPAC: 4-(1,3-benzothiazol-2-yl)-2-chloroaniline.
Chemical Property Profile of 4-(2-Benzothiazolyl)-2-chloro-benzenamine
Property Insights of 4-(2-Benzothiazolyl)-2-chloro-benzenamine
The XLogP value of 4.2 indicates that 4-(2-Benzothiazolyl)-2-chloro-benzenamine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 67.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(2-Benzothiazolyl)-2-chloro-benzenamine. Following Lipinski's Rule of Five, 4-(2-Benzothiazolyl)-2-chloro-benzenamine has 1 hydrogen bond donor(s) and 3 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 4-(2-Benzothiazolyl)-2-chloro-benzenamine?
The CAS number of 4-(2-Benzothiazolyl)-2-chloro-benzenamine is 178804-10-9.
What is the molecular formula of 4-(2-Benzothiazolyl)-2-chloro-benzenamine?
The molecular formula of 4-(2-Benzothiazolyl)-2-chloro-benzenamine is C13H9ClN2S.
What is the molecular weight of 4-(2-Benzothiazolyl)-2-chloro-benzenamine?
The molecular weight of 4-(2-Benzothiazolyl)-2-chloro-benzenamine is 260.02 g/mol.
Where can I buy 4-(2-Benzothiazolyl)-2-chloro-benzenamine?
You can request a quote for 4-(2-Benzothiazolyl)-2-chloro-benzenamine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(2-Benzothiazolyl)-2-chloro-benzenamine?
Yes, KEHONG BIO provides custom synthesis services for 4-(2-Benzothiazolyl)-2-chloro-benzenamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.