N-(2-nitrophenyl)-2-(3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-yl)acetamide
TL;DR: N-(2-nitrophenyl)-2-(3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-yl)acetamide (CAS 106691-42-3) 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.
N-(2-nitrophenyl)-2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetamide
Also Known As: CBKinase1_002186, CBKinase1_014586, NCI60_011928, N-(2-nitrophenyl)-2-(3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-yl)acetamide, N-(2-nitrophenyl)-2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetamide
| Molecular Formula | C16H13N3O4S |
|---|---|
| Molecular Weight | 343.06 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 129.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 343.06268 |
| Heavy Atoms | 24 |
| Complexity | 510.0 |
Chemical Identifiers
| CAS Number | 106691-42-3 |
|---|---|
| SMILES | C1=CC=C2C(=C1)NC(=O)C(S2)CC(=O)NC3=CC=CC=C3[N+](=O)[O-] |
| InChIKey | PYPLLNCCLNXPDB-UHFFFAOYSA-N |
Product Overview
N-(2-nitrophenyl)-2-(3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-yl)acetamide (CAS 106691-42-3), with molecular formula C16H13N3O4S and molecular weight 343.06 g/mol. IUPAC: N-(2-nitrophenyl)-2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetamide.
Chemical Property Profile of N-(2-nitrophenyl)-2-(3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-yl)acetamide
Property Insights of N-(2-nitrophenyl)-2-(3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-yl)acetamide
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(2-nitrophenyl)-2-(3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-yl)acetamide. The TPSA of 129.0 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(2-nitrophenyl)-2-(3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-yl)acetamide. Following Lipinski's Rule of Five, N-(2-nitrophenyl)-2-(3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-yl)acetamide has 2 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-(2-nitrophenyl)-2-(3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-yl)acetamide?
The CAS number of N-(2-nitrophenyl)-2-(3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-yl)acetamide is 106691-42-3.
What is the molecular formula of N-(2-nitrophenyl)-2-(3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-yl)acetamide?
The molecular formula of N-(2-nitrophenyl)-2-(3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-yl)acetamide is C16H13N3O4S.
What is the molecular weight of N-(2-nitrophenyl)-2-(3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-yl)acetamide?
The molecular weight of N-(2-nitrophenyl)-2-(3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-yl)acetamide is 343.06 g/mol.
Where can I buy N-(2-nitrophenyl)-2-(3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-yl)acetamide?
You can request a quote for N-(2-nitrophenyl)-2-(3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-yl)acetamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(2-nitrophenyl)-2-(3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-yl)acetamide?
Yes, KEHONG BIO provides custom synthesis services for N-(2-nitrophenyl)-2-(3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-yl)acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.