N-(4-nitrophenyl)-3-(1,1,3-trioxo-1,2-benzothiazol-2-yl)propanamide
TL;DR: N-(4-nitrophenyl)-3-(1,1,3-trioxo-1,2-benzothiazol-2-yl)propanamide (CAS 899996-07-7) is a chemical compound with molecular formula C16H13N3O6S and molecular weight 375.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(4-nitrophenyl)-3-(1,1,3-trioxo-1,2-benzothiazol-2-yl)propanamide
Also Known As: VU0495807-1, F2749-0150, N-(4-nitrophenyl)-3-(1,1,3-trioxo-1,2-benzothiazol-2-yl)propanamide, 3-(1,1-dioxido-3-oxobenzo[d]isothiazol-2(3H)-yl)-N-(4-nitrophenyl)propanamide, N-(4-nitrophenyl)-3-(1,1,3-trioxo-2,3-dihydro-1lambda6,2-benzothiazol-2-yl)propanamide
| Molecular Formula | C16H13N3O6S |
|---|---|
| Molecular Weight | 375.05 g/mol |
| LogP | 1.7681 |
| Topological Polar Surface Area | 126.69 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 375.05252 |
| Heavy Atoms | 26 |
| Complexity | 1000.9001 |
Chemical Identifiers
| CAS Number | 899996-07-7 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=O)N(S2(=O)=O)CCC(=O)NC3=CC=C(C=C3)[N+](=O)[O-] |
Product Overview
N-(4-nitrophenyl)-3-(1,1,3-trioxo-1,2-benzothiazol-2-yl)propanamide (CAS 899996-07-7), with molecular formula C16H13N3O6S and molecular weight 375.05 g/mol. IUPAC: N-(4-nitrophenyl)-3-(1,1,3-trioxo-1,2-benzothiazol-2-yl)propanamide.
Chemical Property Profile of N-(4-nitrophenyl)-3-(1,1,3-trioxo-1,2-benzothiazol-2-yl)propanamide
Property Insights of N-(4-nitrophenyl)-3-(1,1,3-trioxo-1,2-benzothiazol-2-yl)propanamide
The XLogP value of 1.7681 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(4-nitrophenyl)-3-(1,1,3-trioxo-1,2-benzothiazol-2-yl)propanamide. The TPSA of 126.69 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(4-nitrophenyl)-3-(1,1,3-trioxo-1,2-benzothiazol-2-yl)propanamide. Following Lipinski's Rule of Five, N-(4-nitrophenyl)-3-(1,1,3-trioxo-1,2-benzothiazol-2-yl)propanamide 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-(4-nitrophenyl)-3-(1,1,3-trioxo-1,2-benzothiazol-2-yl)propanamide?
The CAS number of N-(4-nitrophenyl)-3-(1,1,3-trioxo-1,2-benzothiazol-2-yl)propanamide is 899996-07-7.
What is the molecular formula of N-(4-nitrophenyl)-3-(1,1,3-trioxo-1,2-benzothiazol-2-yl)propanamide?
The molecular formula of N-(4-nitrophenyl)-3-(1,1,3-trioxo-1,2-benzothiazol-2-yl)propanamide is C16H13N3O6S.
What is the molecular weight of N-(4-nitrophenyl)-3-(1,1,3-trioxo-1,2-benzothiazol-2-yl)propanamide?
The molecular weight of N-(4-nitrophenyl)-3-(1,1,3-trioxo-1,2-benzothiazol-2-yl)propanamide is 375.05 g/mol.
Where can I buy N-(4-nitrophenyl)-3-(1,1,3-trioxo-1,2-benzothiazol-2-yl)propanamide?
You can request a quote for N-(4-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-(4-nitrophenyl)-3-(1,1,3-trioxo-1,2-benzothiazol-2-yl)propanamide?
Yes, KEHONG BIO provides custom synthesis services for N-(4-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.