N-(3,5-Dimethyl-1,1-dioxothiazin-2-yl)-4-nitrobenzamide
TL;DR: N-(3,5-Dimethyl-1,1-dioxothiazin-2-yl)-4-nitrobenzamide (CAS 116995-18-7) is a chemical compound with molecular formula C13H13N3O5S and molecular weight 323.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(3,5-dimethyl-1,1-dioxothiazin-2-yl)-4-nitrobenzamide
Also Known As: N-(3,5-Dimethyl-1,1-dioxothiazin-2-yl)-4-nitrobenzamide, n-(3,5-dimethyl-1,1-dioxido-2h-1,2-thiazin-2-yl)-4-nitrobenzamide, N-(3,5-dimethyl-1,1-dioxo-thiazin-2-yl)-4-nitro-benzamide, N-(3,5-Dimethyl-1,1-dioxo-1lambda~6~,2-thiazin-2(1H)-yl)-4-nitrobenzamide
| Molecular Formula | C13H13N3O5S |
|---|---|
| Molecular Weight | 323.06 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 121.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 323.0576 |
| Heavy Atoms | 22 |
| Complexity | 634.0 |
Chemical Identifiers
| CAS Number | 116995-18-7 |
|---|---|
| SMILES | CC1=CC(=CS(=O)(=O)N1NC(=O)C2=CC=C(C=C2)[N+](=O)[O-])C |
| InChIKey | ZKBQNQDQZXUYJV-UHFFFAOYSA-N |
Product Overview
N-(3,5-Dimethyl-1,1-dioxothiazin-2-yl)-4-nitrobenzamide (CAS 116995-18-7), with molecular formula C13H13N3O5S and molecular weight 323.06 g/mol. IUPAC: N-(3,5-dimethyl-1,1-dioxothiazin-2-yl)-4-nitrobenzamide.
Chemical Property Profile of N-(3,5-Dimethyl-1,1-dioxothiazin-2-yl)-4-nitrobenzamide
Property Insights of N-(3,5-Dimethyl-1,1-dioxothiazin-2-yl)-4-nitrobenzamide
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(3,5-Dimethyl-1,1-dioxothiazin-2-yl)-4-nitrobenzamide. The TPSA of 121.0 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(3,5-Dimethyl-1,1-dioxothiazin-2-yl)-4-nitrobenzamide. Following Lipinski's Rule of Five, N-(3,5-Dimethyl-1,1-dioxothiazin-2-yl)-4-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 N-(3,5-Dimethyl-1,1-dioxothiazin-2-yl)-4-nitrobenzamide?
The CAS number of N-(3,5-Dimethyl-1,1-dioxothiazin-2-yl)-4-nitrobenzamide is 116995-18-7.
What is the molecular formula of N-(3,5-Dimethyl-1,1-dioxothiazin-2-yl)-4-nitrobenzamide?
The molecular formula of N-(3,5-Dimethyl-1,1-dioxothiazin-2-yl)-4-nitrobenzamide is C13H13N3O5S.
What is the molecular weight of N-(3,5-Dimethyl-1,1-dioxothiazin-2-yl)-4-nitrobenzamide?
The molecular weight of N-(3,5-Dimethyl-1,1-dioxothiazin-2-yl)-4-nitrobenzamide is 323.06 g/mol.
Where can I buy N-(3,5-Dimethyl-1,1-dioxothiazin-2-yl)-4-nitrobenzamide?
You can request a quote for N-(3,5-Dimethyl-1,1-dioxothiazin-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-(3,5-Dimethyl-1,1-dioxothiazin-2-yl)-4-nitrobenzamide?
Yes, KEHONG BIO provides custom synthesis services for N-(3,5-Dimethyl-1,1-dioxothiazin-2-yl)-4-nitrobenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.