![N-[5-(1,3-benzothiazol-2-yl)-2-chlorophenyl]-2-chloro-5-nitrobenzamide structure](/static/products/5839/5839-06-5.webp)
N-[5-(1,3-benzothiazol-2-yl)-2-chlorophenyl]-2-chloro-5-nitrobenzamide
TL;DR: N-[5-(1,3-benzothiazol-2-yl)-2-chlorophenyl]-2-chloro-5-nitrobenzamide (CAS 5839-06-5) is a chemical compound with molecular formula C20H11Cl2N3O3S and molecular weight 442.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[5-(1,3-benzothiazol-2-yl)-2-chlorophenyl]-2-chloro-5-nitrobenzamide
Also Known As: N-[5-(1,3-benzothiazol-2-yl)-2-chlorophenyl]-2-chloro-5-nitrobenzamide
| Molecular Formula | C20H11Cl2N3O3S |
|---|---|
| Molecular Weight | 442.99 g/mol |
| LogP | 6.4306 |
| Topological Polar Surface Area | 85.13 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 442.9898 |
| Heavy Atoms | 29 |
| Complexity | 1240.0588 |
Chemical Identifiers
| CAS Number | 5839-06-5 |
|---|---|
| SMILES | C1=CC=C2C(=C1)N=C(S2)C3=CC(=C(C=C3)Cl)NC(=O)C4=C(C=CC(=C4)[N+](=O)[O-])Cl |
Product Overview
N-[5-(1,3-benzothiazol-2-yl)-2-chlorophenyl]-2-chloro-5-nitrobenzamide (CAS 5839-06-5), with molecular formula C20H11Cl2N3O3S and molecular weight 442.99 g/mol. IUPAC: N-[5-(1,3-benzothiazol-2-yl)-2-chlorophenyl]-2-chloro-5-nitrobenzamide.
Chemical Property Profile of N-[5-(1,3-benzothiazol-2-yl)-2-chlorophenyl]-2-chloro-5-nitrobenzamide
Property Insights of N-[5-(1,3-benzothiazol-2-yl)-2-chlorophenyl]-2-chloro-5-nitrobenzamide
The XLogP value of 6.4306 indicates that N-[5-(1,3-benzothiazol-2-yl)-2-chlorophenyl]-2-chloro-5-nitrobenzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 85.13 Ų falls within the moderate polarity range, balancing permeability and solubility for N-[5-(1,3-benzothiazol-2-yl)-2-chlorophenyl]-2-chloro-5-nitrobenzamide. Following Lipinski's Rule of Five, N-[5-(1,3-benzothiazol-2-yl)-2-chlorophenyl]-2-chloro-5-nitrobenzamide has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of N-[5-(1,3-benzothiazol-2-yl)-2-chlorophenyl]-2-chloro-5-nitrobenzamide?
The CAS number of N-[5-(1,3-benzothiazol-2-yl)-2-chlorophenyl]-2-chloro-5-nitrobenzamide is 5839-06-5.
What is the molecular formula of N-[5-(1,3-benzothiazol-2-yl)-2-chlorophenyl]-2-chloro-5-nitrobenzamide?
The molecular formula of N-[5-(1,3-benzothiazol-2-yl)-2-chlorophenyl]-2-chloro-5-nitrobenzamide is C20H11Cl2N3O3S.
What is the molecular weight of N-[5-(1,3-benzothiazol-2-yl)-2-chlorophenyl]-2-chloro-5-nitrobenzamide?
The molecular weight of N-[5-(1,3-benzothiazol-2-yl)-2-chlorophenyl]-2-chloro-5-nitrobenzamide is 442.99 g/mol.
Where can I buy N-[5-(1,3-benzothiazol-2-yl)-2-chlorophenyl]-2-chloro-5-nitrobenzamide?
You can request a quote for N-[5-(1,3-benzothiazol-2-yl)-2-chlorophenyl]-2-chloro-5-nitrobenzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-[5-(1,3-benzothiazol-2-yl)-2-chlorophenyl]-2-chloro-5-nitrobenzamide?
Yes, KEHONG BIO provides custom synthesis services for N-[5-(1,3-benzothiazol-2-yl)-2-chlorophenyl]-2-chloro-5-nitrobenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.