4-(1,3-Benzothiazol-2-yl)-2,6-dichloroaniline
TL;DR: 4-(1,3-Benzothiazol-2-yl)-2,6-dichloroaniline (CAS 178804-12-1) is a chemical compound with molecular formula C13H8Cl2N2S and molecular weight 293.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(1,3-benzothiazol-2-yl)-2,6-dichloroaniline
Also Known As: 4-(1,3-benzothiazol-2-yl)-2,6-dichloroaniline, NCI60_032848, 2,6-Dichloro-4-(benzothiazol-2-yl)aniline, 4-(2-Benzothiazolyl)-2,6-dichlorobenzenamine, 4-(1,3-benzothiazol-2-yl)-2,6-dichloro-aniline
| Molecular Formula | C13H8Cl2N2S |
|---|---|
| Molecular Weight | 293.98 g/mol |
| LogP | 4.8 |
| Topological Polar Surface Area | 67.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 293.97852 |
| Heavy Atoms | 18 |
| Complexity | 293.0 |
Chemical Identifiers
| CAS Number | 178804-12-1 |
|---|---|
| SMILES | C1=CC=C2C(=C1)N=C(S2)C3=CC(=C(C(=C3)Cl)N)Cl |
| InChIKey | JGBRZSNXLUIGLP-UHFFFAOYSA-N |
Product Overview
4-(1,3-Benzothiazol-2-yl)-2,6-dichloroaniline (CAS 178804-12-1), with molecular formula C13H8Cl2N2S and molecular weight 293.98 g/mol. IUPAC: 4-(1,3-benzothiazol-2-yl)-2,6-dichloroaniline.
Chemical Property Profile of 4-(1,3-Benzothiazol-2-yl)-2,6-dichloroaniline
Property Insights of 4-(1,3-Benzothiazol-2-yl)-2,6-dichloroaniline
The XLogP value of 4.8 indicates that 4-(1,3-Benzothiazol-2-yl)-2,6-dichloroaniline 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-(1,3-Benzothiazol-2-yl)-2,6-dichloroaniline. Following Lipinski's Rule of Five, 4-(1,3-Benzothiazol-2-yl)-2,6-dichloroaniline 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-(1,3-Benzothiazol-2-yl)-2,6-dichloroaniline?
The CAS number of 4-(1,3-Benzothiazol-2-yl)-2,6-dichloroaniline is 178804-12-1.
What is the molecular formula of 4-(1,3-Benzothiazol-2-yl)-2,6-dichloroaniline?
The molecular formula of 4-(1,3-Benzothiazol-2-yl)-2,6-dichloroaniline is C13H8Cl2N2S.
What is the molecular weight of 4-(1,3-Benzothiazol-2-yl)-2,6-dichloroaniline?
The molecular weight of 4-(1,3-Benzothiazol-2-yl)-2,6-dichloroaniline is 293.98 g/mol.
Where can I buy 4-(1,3-Benzothiazol-2-yl)-2,6-dichloroaniline?
You can request a quote for 4-(1,3-Benzothiazol-2-yl)-2,6-dichloroaniline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(1,3-Benzothiazol-2-yl)-2,6-dichloroaniline?
Yes, KEHONG BIO provides custom synthesis services for 4-(1,3-Benzothiazol-2-yl)-2,6-dichloroaniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.