Benzothiazole, 2,2'-(o-chlorobenzylidenediimino)di-
TL;DR: Benzothiazole, 2,2'-(o-chlorobenzylidenediimino)di- (CAS 96733-55-0) is a chemical compound with molecular formula C21H15ClN4S2 and molecular weight 422.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N,N'-bis(1,3-benzothiazol-2-yl)-1-(2-chlorophenyl)methanediamine
Also Known As: Benzothiazole, 2,2'-(o-chlorobenzylidenediimino)di-, 2,2'-(o-Chlorobenzylidenediimino)dibenzothiazole, Methanediamine, N,N'-bis(2-benzothiazolyl)-1-(2-chlorophenyl)-, N,N'-bis(1,3-benzothiazol-2-yl)-1-(2-chlorophenyl)methanediamine, RefChem:328169
| Molecular Formula | C21H15ClN4S2 |
|---|---|
| Molecular Weight | 422.04 g/mol |
| LogP | 7.4 |
| Topological Polar Surface Area | 106.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 422.04266 |
| Heavy Atoms | 28 |
| Complexity | 493.0 |
Chemical Identifiers
| CAS Number | 96733-55-0 |
|---|---|
| SMILES | C1=CC=C(C(=C1)C(NC2=NC3=CC=CC=C3S2)NC4=NC5=CC=CC=C5S4)Cl |
| InChIKey | SJSQHRNOQKHIIE-UHFFFAOYSA-N |
Product Overview
Benzothiazole, 2,2'-(o-chlorobenzylidenediimino)di- (CAS 96733-55-0), with molecular formula C21H15ClN4S2 and molecular weight 422.04 g/mol. IUPAC: N,N'-bis(1,3-benzothiazol-2-yl)-1-(2-chlorophenyl)methanediamine.
Chemical Property Profile of Benzothiazole, 2,2'-(o-chlorobenzylidenediimino)di-
Property Insights of Benzothiazole, 2,2'-(o-chlorobenzylidenediimino)di-
The XLogP value of 7.4 indicates that Benzothiazole, 2,2'-(o-chlorobenzylidenediimino)di- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 106.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzothiazole, 2,2'-(o-chlorobenzylidenediimino)di-. Following Lipinski's Rule of Five, Benzothiazole, 2,2'-(o-chlorobenzylidenediimino)di- has 2 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Benzothiazole, 2,2'-(o-chlorobenzylidenediimino)di-?
The CAS number of Benzothiazole, 2,2'-(o-chlorobenzylidenediimino)di- is 96733-55-0.
What is the molecular formula of Benzothiazole, 2,2'-(o-chlorobenzylidenediimino)di-?
The molecular formula of Benzothiazole, 2,2'-(o-chlorobenzylidenediimino)di- is C21H15ClN4S2.
What is the molecular weight of Benzothiazole, 2,2'-(o-chlorobenzylidenediimino)di-?
The molecular weight of Benzothiazole, 2,2'-(o-chlorobenzylidenediimino)di- is 422.04 g/mol.
Where can I buy Benzothiazole, 2,2'-(o-chlorobenzylidenediimino)di-?
You can request a quote for Benzothiazole, 2,2'-(o-chlorobenzylidenediimino)di- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzothiazole, 2,2'-(o-chlorobenzylidenediimino)di-?
Yes, KEHONG BIO provides custom synthesis services for Benzothiazole, 2,2'-(o-chlorobenzylidenediimino)di- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.