Benzothiazole, 2-(2-chloro-5-nitrophenyl)-
TL;DR: Benzothiazole, 2-(2-chloro-5-nitrophenyl)- (CAS 54255-68-4) is a chemical compound with molecular formula C13H7ClN2O2S and molecular weight 289.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(2-chloro-5-nitrophenyl)-1,3-benzothiazole
Also Known As: Benzothiazole,2- -, Benzothiazole, 2-(2-chloro-5-nitrophenyl)-, 2-(2-chloro-5-nitrophenyl)-1,3-benzothiazole, 2-(2-Chloro-5-nitrophenyl)benzothiazole, 2-(2-chloro-5-nitrophenyl)-benzothiazole
| Molecular Formula | C13H7ClN2O2S |
|---|---|
| Molecular Weight | 289.99 g/mol |
| LogP | 4.5249 |
| Topological Polar Surface Area | 56.03 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 289.99167 |
| Heavy Atoms | 19 |
| Complexity | 752.1642 |
Chemical Identifiers
| CAS Number | 54255-68-4 |
|---|---|
| SMILES | C1=CC=C2C(=C1)N=C(S2)C3=C(C=CC(=C3)[N+](=O)[O-])Cl |
Product Overview
Benzothiazole, 2-(2-chloro-5-nitrophenyl)- (CAS 54255-68-4), with molecular formula C13H7ClN2O2S and molecular weight 289.99 g/mol. IUPAC: 2-(2-chloro-5-nitrophenyl)-1,3-benzothiazole.
Chemical Property Profile of Benzothiazole, 2-(2-chloro-5-nitrophenyl)-
Property Insights of Benzothiazole, 2-(2-chloro-5-nitrophenyl)-
The XLogP value of 4.5249 indicates that Benzothiazole, 2-(2-chloro-5-nitrophenyl)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 56.03 Ų, Benzothiazole, 2-(2-chloro-5-nitrophenyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzothiazole, 2-(2-chloro-5-nitrophenyl)- has 0 hydrogen bond donor(s) and 4 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 Benzothiazole, 2-(2-chloro-5-nitrophenyl)-?
The CAS number of Benzothiazole, 2-(2-chloro-5-nitrophenyl)- is 54255-68-4.
What is the molecular formula of Benzothiazole, 2-(2-chloro-5-nitrophenyl)-?
The molecular formula of Benzothiazole, 2-(2-chloro-5-nitrophenyl)- is C13H7ClN2O2S.
What is the molecular weight of Benzothiazole, 2-(2-chloro-5-nitrophenyl)-?
The molecular weight of Benzothiazole, 2-(2-chloro-5-nitrophenyl)- is 289.99 g/mol.
Where can I buy Benzothiazole, 2-(2-chloro-5-nitrophenyl)-?
You can request a quote for Benzothiazole, 2-(2-chloro-5-nitrophenyl)- 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-chloro-5-nitrophenyl)-?
Yes, KEHONG BIO provides custom synthesis services for Benzothiazole, 2-(2-chloro-5-nitrophenyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.