4-chloro-N-(6-methoxy-1,3-benzothiazol-2-yl)-3-nitrobenzamide
TL;DR: 4-chloro-N-(6-methoxy-1,3-benzothiazol-2-yl)-3-nitrobenzamide (CAS 313499-58-0) is a chemical compound with molecular formula C15H10ClN3O4S and molecular weight 363.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-chloro-N-(6-methoxy-1,3-benzothiazol-2-yl)-3-nitrobenzamide
Also Known As: 4-chloro-N-(6-methoxy-1,3-benzothiazol-2-yl)-3-nitrobenzamide, 4-chloro-N-(6-methoxybenzo[d]thiazol-2-yl)-3-nitrobenzamide, (4-chloro-3-nitrophenyl)-N-(6-methoxybenzothiazol-2-yl)carboxamide, 4-chloro-3-nitro-N-(6-methoxy-1,3-benzothiazol-2-yl)benzenecarboximidic acid, 4-chloro-N-[(2E)-6-methoxy-1,3-benzothiazol-2(3H)-ylidene]-3-nitrobenzamide
| Molecular Formula | C15H10ClN3O4S |
|---|---|
| Molecular Weight | 363.01 g/mol |
| LogP | 4.1188 |
| Topological Polar Surface Area | 94.36 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 363.00806 |
| Heavy Atoms | 24 |
| Complexity | 957.0422 |
Chemical Identifiers
| CAS Number | 313499-58-0 |
|---|---|
| SMILES | COC1=CC2=C(C=C1)N=C(S2)NC(=O)C3=CC(=C(C=C3)Cl)[N+](=O)[O-] |
Product Overview
4-chloro-N-(6-methoxy-1,3-benzothiazol-2-yl)-3-nitrobenzamide (CAS 313499-58-0), with molecular formula C15H10ClN3O4S and molecular weight 363.01 g/mol. IUPAC: 4-chloro-N-(6-methoxy-1,3-benzothiazol-2-yl)-3-nitrobenzamide.
Chemical Property Profile of 4-chloro-N-(6-methoxy-1,3-benzothiazol-2-yl)-3-nitrobenzamide
Property Insights of 4-chloro-N-(6-methoxy-1,3-benzothiazol-2-yl)-3-nitrobenzamide
The XLogP value of 4.1188 indicates that 4-chloro-N-(6-methoxy-1,3-benzothiazol-2-yl)-3-nitrobenzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 94.36 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-chloro-N-(6-methoxy-1,3-benzothiazol-2-yl)-3-nitrobenzamide. Following Lipinski's Rule of Five, 4-chloro-N-(6-methoxy-1,3-benzothiazol-2-yl)-3-nitrobenzamide 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 4-chloro-N-(6-methoxy-1,3-benzothiazol-2-yl)-3-nitrobenzamide?
The CAS number of 4-chloro-N-(6-methoxy-1,3-benzothiazol-2-yl)-3-nitrobenzamide is 313499-58-0.
What is the molecular formula of 4-chloro-N-(6-methoxy-1,3-benzothiazol-2-yl)-3-nitrobenzamide?
The molecular formula of 4-chloro-N-(6-methoxy-1,3-benzothiazol-2-yl)-3-nitrobenzamide is C15H10ClN3O4S.
What is the molecular weight of 4-chloro-N-(6-methoxy-1,3-benzothiazol-2-yl)-3-nitrobenzamide?
The molecular weight of 4-chloro-N-(6-methoxy-1,3-benzothiazol-2-yl)-3-nitrobenzamide is 363.01 g/mol.
Where can I buy 4-chloro-N-(6-methoxy-1,3-benzothiazol-2-yl)-3-nitrobenzamide?
You can request a quote for 4-chloro-N-(6-methoxy-1,3-benzothiazol-2-yl)-3-nitrobenzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-chloro-N-(6-methoxy-1,3-benzothiazol-2-yl)-3-nitrobenzamide?
Yes, KEHONG BIO provides custom synthesis services for 4-chloro-N-(6-methoxy-1,3-benzothiazol-2-yl)-3-nitrobenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.