4-Benzothiazol-2-yl-3-chloro-phenylamine
TL;DR: 4-Benzothiazol-2-yl-3-chloro-phenylamine (CAS 43088-00-2) 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)-3-chloroaniline
Also Known As: Not Available, 4-Benzothiazol-2-yl-3-chloro-phenylamine, 4-(1,3-benzothiazol-2-yl)-3-chloroaniline, 4-Benzothiazol-2-yl-3-chlorophenylamine, 4-(benzo[d]thiazol-2-yl)-3-chloroaniline
| 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 | 43088-00-2 |
|---|---|
| SMILES | C1=CC=C2C(=C1)N=C(S2)C3=C(C=C(C=C3)N)Cl |
| InChIKey | DRFGKQLPMWOHTF-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-Benzothiazol-2-yl-3-chloro-phenylamine (CAS 43088-00-2), with molecular formula C13H9ClN2S and molecular weight 260.02 g/mol. IUPAC: 4-(1,3-benzothiazol-2-yl)-3-chloroaniline.
Chemical Property Profile of 4-Benzothiazol-2-yl-3-chloro-phenylamine
Property Insights of 4-Benzothiazol-2-yl-3-chloro-phenylamine
The XLogP value of 4.2 indicates that 4-Benzothiazol-2-yl-3-chloro-phenylamine 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-Benzothiazol-2-yl-3-chloro-phenylamine. Following Lipinski's Rule of Five, 4-Benzothiazol-2-yl-3-chloro-phenylamine 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-Benzothiazol-2-yl-3-chloro-phenylamine?
The CAS number of 4-Benzothiazol-2-yl-3-chloro-phenylamine is 43088-00-2.
What is the molecular formula of 4-Benzothiazol-2-yl-3-chloro-phenylamine?
The molecular formula of 4-Benzothiazol-2-yl-3-chloro-phenylamine is C13H9ClN2S.
What is the molecular weight of 4-Benzothiazol-2-yl-3-chloro-phenylamine?
The molecular weight of 4-Benzothiazol-2-yl-3-chloro-phenylamine is 260.02 g/mol.
Where can I buy 4-Benzothiazol-2-yl-3-chloro-phenylamine?
You can request a quote for 4-Benzothiazol-2-yl-3-chloro-phenylamine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Benzothiazol-2-yl-3-chloro-phenylamine?
Yes, KEHONG BIO provides custom synthesis services for 4-Benzothiazol-2-yl-3-chloro-phenylamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.