4-methoxy-N-(4-methyl-1,3-benzothiazol-2-yl)-3-nitrobenzamide
TL;DR: 4-methoxy-N-(4-methyl-1,3-benzothiazol-2-yl)-3-nitrobenzamide (CAS 710976-13-9) is a chemical compound with molecular formula C16H13N3O4S and molecular weight 343.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-methoxy-N-(4-methyl-1,3-benzothiazol-2-yl)-3-nitrobenzamide
Also Known As: 4-methoxy-N-(4-methyl-1,3-benzothiazol-2-yl)-3-nitrobenzamide, (4-methoxy-3-nitrophenyl)-N-(4-methylbenzothiazol-2-yl)carboxamide
| Molecular Formula | C16H13N3O4S |
|---|---|
| Molecular Weight | 343.06 g/mol |
| LogP | 3.77382 |
| Topological Polar Surface Area | 94.36 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 343.06268 |
| Heavy Atoms | 24 |
| Complexity | 951.64557 |
Chemical Identifiers
| CAS Number | 710976-13-9 |
|---|---|
| SMILES | CC1=C2C(=CC=C1)SC(=N2)NC(=O)C3=CC(=C(C=C3)OC)[N+](=O)[O-] |
Product Overview
4-methoxy-N-(4-methyl-1,3-benzothiazol-2-yl)-3-nitrobenzamide (CAS 710976-13-9), with molecular formula C16H13N3O4S and molecular weight 343.06 g/mol. IUPAC: 4-methoxy-N-(4-methyl-1,3-benzothiazol-2-yl)-3-nitrobenzamide.
Chemical Property Profile of 4-methoxy-N-(4-methyl-1,3-benzothiazol-2-yl)-3-nitrobenzamide
Property Insights of 4-methoxy-N-(4-methyl-1,3-benzothiazol-2-yl)-3-nitrobenzamide
The XLogP value of 3.77382 indicates that 4-methoxy-N-(4-methyl-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-methoxy-N-(4-methyl-1,3-benzothiazol-2-yl)-3-nitrobenzamide. Following Lipinski's Rule of Five, 4-methoxy-N-(4-methyl-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-methoxy-N-(4-methyl-1,3-benzothiazol-2-yl)-3-nitrobenzamide?
The CAS number of 4-methoxy-N-(4-methyl-1,3-benzothiazol-2-yl)-3-nitrobenzamide is 710976-13-9.
What is the molecular formula of 4-methoxy-N-(4-methyl-1,3-benzothiazol-2-yl)-3-nitrobenzamide?
The molecular formula of 4-methoxy-N-(4-methyl-1,3-benzothiazol-2-yl)-3-nitrobenzamide is C16H13N3O4S.
What is the molecular weight of 4-methoxy-N-(4-methyl-1,3-benzothiazol-2-yl)-3-nitrobenzamide?
The molecular weight of 4-methoxy-N-(4-methyl-1,3-benzothiazol-2-yl)-3-nitrobenzamide is 343.06 g/mol.
Where can I buy 4-methoxy-N-(4-methyl-1,3-benzothiazol-2-yl)-3-nitrobenzamide?
You can request a quote for 4-methoxy-N-(4-methyl-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-methoxy-N-(4-methyl-1,3-benzothiazol-2-yl)-3-nitrobenzamide?
Yes, KEHONG BIO provides custom synthesis services for 4-methoxy-N-(4-methyl-1,3-benzothiazol-2-yl)-3-nitrobenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.