2-chloro-N-(6-nitro-1,3-benzothiazol-2-yl)pyridine-3-carboxamide
TL;DR: 2-chloro-N-(6-nitro-1,3-benzothiazol-2-yl)pyridine-3-carboxamide (CAS 85678-87-1) is a chemical compound with molecular formula C13H7ClN4O3S and molecular weight 333.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-chloro-N-(6-nitro-1,3-benzothiazol-2-yl)pyridine-3-carboxamide
Also Known As: N-propylpiperonylideneamine, 2-Chloro-N-(6-nitro-benzothiazol-2-yl)-nicotinamide, 2-chloro-N-(6-nitro-1,3-benzothiazol-2-yl)pyridine-3-carboxamide
| Molecular Formula | C13H7ClN4O3S |
|---|---|
| Molecular Weight | 333.99 g/mol |
| LogP | 3.5052 |
| Topological Polar Surface Area | 98.02 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 333.99274 |
| Heavy Atoms | 22 |
| Complexity | 895.8775 |
Chemical Identifiers
| CAS Number | 85678-87-1 |
|---|---|
| SMILES | C1=CC(=C(N=C1)Cl)C(=O)NC2=NC3=C(S2)C=C(C=C3)[N+](=O)[O-] |
Product Overview
2-chloro-N-(6-nitro-1,3-benzothiazol-2-yl)pyridine-3-carboxamide (CAS 85678-87-1), with molecular formula C13H7ClN4O3S and molecular weight 333.99 g/mol. IUPAC: 2-chloro-N-(6-nitro-1,3-benzothiazol-2-yl)pyridine-3-carboxamide.
Chemical Property Profile of 2-chloro-N-(6-nitro-1,3-benzothiazol-2-yl)pyridine-3-carboxamide
Property Insights of 2-chloro-N-(6-nitro-1,3-benzothiazol-2-yl)pyridine-3-carboxamide
The XLogP value of 3.5052 indicates that 2-chloro-N-(6-nitro-1,3-benzothiazol-2-yl)pyridine-3-carboxamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 98.02 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-chloro-N-(6-nitro-1,3-benzothiazol-2-yl)pyridine-3-carboxamide. Following Lipinski's Rule of Five, 2-chloro-N-(6-nitro-1,3-benzothiazol-2-yl)pyridine-3-carboxamide has 1 hydrogen bond donor(s) and 6 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 2-chloro-N-(6-nitro-1,3-benzothiazol-2-yl)pyridine-3-carboxamide?
The CAS number of 2-chloro-N-(6-nitro-1,3-benzothiazol-2-yl)pyridine-3-carboxamide is 85678-87-1.
What is the molecular formula of 2-chloro-N-(6-nitro-1,3-benzothiazol-2-yl)pyridine-3-carboxamide?
The molecular formula of 2-chloro-N-(6-nitro-1,3-benzothiazol-2-yl)pyridine-3-carboxamide is C13H7ClN4O3S.
What is the molecular weight of 2-chloro-N-(6-nitro-1,3-benzothiazol-2-yl)pyridine-3-carboxamide?
The molecular weight of 2-chloro-N-(6-nitro-1,3-benzothiazol-2-yl)pyridine-3-carboxamide is 333.99 g/mol.
Where can I buy 2-chloro-N-(6-nitro-1,3-benzothiazol-2-yl)pyridine-3-carboxamide?
You can request a quote for 2-chloro-N-(6-nitro-1,3-benzothiazol-2-yl)pyridine-3-carboxamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-chloro-N-(6-nitro-1,3-benzothiazol-2-yl)pyridine-3-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for 2-chloro-N-(6-nitro-1,3-benzothiazol-2-yl)pyridine-3-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.