N-(6-chloro-1,3-benzothiazol-2-yl)-2,4-dinitrobenzamide
TL;DR: N-(6-chloro-1,3-benzothiazol-2-yl)-2,4-dinitrobenzamide (CAS 301235-39-2) is a chemical compound with molecular formula C14H7ClN4O5S and molecular weight 377.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(6-chloro-1,3-benzothiazol-2-yl)-2,4-dinitrobenzamide
Also Known As: N-(6-chloro-1,3-benzothiazol-2-yl)-2,4-dinitrobenzamide, F0015-0385, N-(6-chlorobenzo[d]thiazol-2-yl)-2,4-dinitrobenzamide, N-(6-chloro-1,3-benzothiazol-2-yl)2,4-dinitrobenzamide
| Molecular Formula | C14H7ClN4O5S |
|---|---|
| Molecular Weight | 377.98 g/mol |
| LogP | 4.0184 |
| Topological Polar Surface Area | 128.27 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 377.98257 |
| Heavy Atoms | 25 |
| Complexity | 1035.234 |
Chemical Identifiers
| CAS Number | 301235-39-2 |
|---|---|
| SMILES | C1=CC(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])C(=O)NC2=NC3=C(S2)C=C(C=C3)Cl |
Product Overview
N-(6-chloro-1,3-benzothiazol-2-yl)-2,4-dinitrobenzamide (CAS 301235-39-2), with molecular formula C14H7ClN4O5S and molecular weight 377.98 g/mol. IUPAC: N-(6-chloro-1,3-benzothiazol-2-yl)-2,4-dinitrobenzamide.
Chemical Property Profile of N-(6-chloro-1,3-benzothiazol-2-yl)-2,4-dinitrobenzamide
Property Insights of N-(6-chloro-1,3-benzothiazol-2-yl)-2,4-dinitrobenzamide
The XLogP value of 4.0184 indicates that N-(6-chloro-1,3-benzothiazol-2-yl)-2,4-dinitrobenzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 128.27 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(6-chloro-1,3-benzothiazol-2-yl)-2,4-dinitrobenzamide. Following Lipinski's Rule of Five, N-(6-chloro-1,3-benzothiazol-2-yl)-2,4-dinitrobenzamide has 1 hydrogen bond donor(s) and 7 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 N-(6-chloro-1,3-benzothiazol-2-yl)-2,4-dinitrobenzamide?
The CAS number of N-(6-chloro-1,3-benzothiazol-2-yl)-2,4-dinitrobenzamide is 301235-39-2.
What is the molecular formula of N-(6-chloro-1,3-benzothiazol-2-yl)-2,4-dinitrobenzamide?
The molecular formula of N-(6-chloro-1,3-benzothiazol-2-yl)-2,4-dinitrobenzamide is C14H7ClN4O5S.
What is the molecular weight of N-(6-chloro-1,3-benzothiazol-2-yl)-2,4-dinitrobenzamide?
The molecular weight of N-(6-chloro-1,3-benzothiazol-2-yl)-2,4-dinitrobenzamide is 377.98 g/mol.
Where can I buy N-(6-chloro-1,3-benzothiazol-2-yl)-2,4-dinitrobenzamide?
You can request a quote for N-(6-chloro-1,3-benzothiazol-2-yl)-2,4-dinitrobenzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(6-chloro-1,3-benzothiazol-2-yl)-2,4-dinitrobenzamide?
Yes, KEHONG BIO provides custom synthesis services for N-(6-chloro-1,3-benzothiazol-2-yl)-2,4-dinitrobenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.