N-(2-methoxy-5-nitrophenyl)-3-(1,1,3-trioxo-1,2-benzothiazol-2-yl)propanamide
TL;DR: N-(2-methoxy-5-nitrophenyl)-3-(1,1,3-trioxo-1,2-benzothiazol-2-yl)propanamide (CAS 663167-83-7) is a chemical compound with molecular formula C17H15N3O7S and molecular weight 405.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(2-methoxy-5-nitrophenyl)-3-(1,1,3-trioxo-1,2-benzothiazol-2-yl)propanamide
Also Known As: N-(2-methoxy-5-nitrophenyl)-3-(1,1,3-trioxo-1,2-benzothiazol-2-yl)propanamide, 3-(1,1-dioxido-3-oxo-1,2-benzisothiazol-2(3H)-yl)-N-(2-methoxy-5-nitrophenyl)propanamide, 3-(1,1-dioxido-3-oxo-1,2-benzothiazol-2(3H)-yl)-N-(2-methoxy-5-nitrophenyl)propanamide
| Molecular Formula | C17H15N3O7S |
|---|---|
| Molecular Weight | 405.06 g/mol |
| LogP | 1.7767 |
| Topological Polar Surface Area | 135.92 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 405.06308 |
| Heavy Atoms | 28 |
| Complexity | 1081.9087 |
Chemical Identifiers
| CAS Number | 663167-83-7 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)CCN2C(=O)C3=CC=CC=C3S2(=O)=O |
Product Overview
N-(2-methoxy-5-nitrophenyl)-3-(1,1,3-trioxo-1,2-benzothiazol-2-yl)propanamide (CAS 663167-83-7), with molecular formula C17H15N3O7S and molecular weight 405.06 g/mol. IUPAC: N-(2-methoxy-5-nitrophenyl)-3-(1,1,3-trioxo-1,2-benzothiazol-2-yl)propanamide.
Chemical Property Profile of N-(2-methoxy-5-nitrophenyl)-3-(1,1,3-trioxo-1,2-benzothiazol-2-yl)propanamide
Property Insights of N-(2-methoxy-5-nitrophenyl)-3-(1,1,3-trioxo-1,2-benzothiazol-2-yl)propanamide
The XLogP value of 1.7767 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(2-methoxy-5-nitrophenyl)-3-(1,1,3-trioxo-1,2-benzothiazol-2-yl)propanamide. The TPSA of 135.92 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(2-methoxy-5-nitrophenyl)-3-(1,1,3-trioxo-1,2-benzothiazol-2-yl)propanamide. Following Lipinski's Rule of Five, N-(2-methoxy-5-nitrophenyl)-3-(1,1,3-trioxo-1,2-benzothiazol-2-yl)propanamide has 1 hydrogen bond donor(s) and 7 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-methoxy-5-nitrophenyl)-3-(1,1,3-trioxo-1,2-benzothiazol-2-yl)propanamide?
The CAS number of N-(2-methoxy-5-nitrophenyl)-3-(1,1,3-trioxo-1,2-benzothiazol-2-yl)propanamide is 663167-83-7.
What is the molecular formula of N-(2-methoxy-5-nitrophenyl)-3-(1,1,3-trioxo-1,2-benzothiazol-2-yl)propanamide?
The molecular formula of N-(2-methoxy-5-nitrophenyl)-3-(1,1,3-trioxo-1,2-benzothiazol-2-yl)propanamide is C17H15N3O7S.
What is the molecular weight of N-(2-methoxy-5-nitrophenyl)-3-(1,1,3-trioxo-1,2-benzothiazol-2-yl)propanamide?
The molecular weight of N-(2-methoxy-5-nitrophenyl)-3-(1,1,3-trioxo-1,2-benzothiazol-2-yl)propanamide is 405.06 g/mol.
Where can I buy N-(2-methoxy-5-nitrophenyl)-3-(1,1,3-trioxo-1,2-benzothiazol-2-yl)propanamide?
You can request a quote for N-(2-methoxy-5-nitrophenyl)-3-(1,1,3-trioxo-1,2-benzothiazol-2-yl)propanamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(2-methoxy-5-nitrophenyl)-3-(1,1,3-trioxo-1,2-benzothiazol-2-yl)propanamide?
Yes, KEHONG BIO provides custom synthesis services for N-(2-methoxy-5-nitrophenyl)-3-(1,1,3-trioxo-1,2-benzothiazol-2-yl)propanamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.