N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-4-nitrobenzamide
TL;DR: N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-4-nitrobenzamide (CAS 301235-66-5) is a chemical compound with molecular formula C16H13N3O3S and molecular weight 327.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-4-nitrobenzamide
Also Known As: N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-4-nitrobenzamide, F0098-0137, N-(4,6-dimethylbenzo[d]thiazol-2-yl)-4-nitrobenzamide
| Molecular Formula | C16H13N3O3S |
|---|---|
| Molecular Weight | 327.07 g/mol |
| LogP | 4.1 |
| Topological Polar Surface Area | 116.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 327.06775 |
| Heavy Atoms | 23 |
| Complexity | 462.0 |
Chemical Identifiers
| CAS Number | 301235-66-5 |
|---|---|
| SMILES | CC1=CC(=C2C(=C1)SC(=N2)NC(=O)C3=CC=C(C=C3)[N+](=O)[O-])C |
| InChIKey | FBJLVWSUYBUPAL-UHFFFAOYSA-N |
Product Overview
N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-4-nitrobenzamide (CAS 301235-66-5), with molecular formula C16H13N3O3S and molecular weight 327.07 g/mol. IUPAC: N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-4-nitrobenzamide.
Chemical Property Profile of N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-4-nitrobenzamide
Property Insights of N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-4-nitrobenzamide
The XLogP value of 4.1 indicates that N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-4-nitrobenzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 116.0 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-4-nitrobenzamide. Following Lipinski's Rule of Five, N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-4-nitrobenzamide has 1 hydrogen bond donor(s) and 5 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-(4,6-dimethyl-1,3-benzothiazol-2-yl)-4-nitrobenzamide?
The CAS number of N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-4-nitrobenzamide is 301235-66-5.
What is the molecular formula of N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-4-nitrobenzamide?
The molecular formula of N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-4-nitrobenzamide is C16H13N3O3S.
What is the molecular weight of N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-4-nitrobenzamide?
The molecular weight of N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-4-nitrobenzamide is 327.07 g/mol.
Where can I buy N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-4-nitrobenzamide?
You can request a quote for N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-4-nitrobenzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-4-nitrobenzamide?
Yes, KEHONG BIO provides custom synthesis services for N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-4-nitrobenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.