![N-[4-(1,1-dioxothiazinan-2-yl)phenyl]-2-nitrobenzamide structure](/static/products/899/899731-66-9.png)
N-[4-(1,1-dioxothiazinan-2-yl)phenyl]-2-nitrobenzamide
TL;DR: N-[4-(1,1-dioxothiazinan-2-yl)phenyl]-2-nitrobenzamide (CAS 899731-66-9) is a chemical compound with molecular formula C17H17N3O5S and molecular weight 375.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[4-(1,1-dioxothiazinan-2-yl)phenyl]-2-nitrobenzamide
Also Known As: VU0499332-1, N-[4-(1,1-dioxothiazinan-2-yl)phenyl]-2-nitrobenzamide, F2794-0052, N-(4-(1,1-dioxido-1,2-thiazinan-2-yl)phenyl)-2-nitrobenzamide, N-[4-(1,1-dioxo-1lambda6,2-thiazinan-2-yl)phenyl]-2-nitrobenzamide
| Molecular Formula | C17H17N3O5S |
|---|---|
| Molecular Weight | 375.09 g/mol |
| LogP | 2.7771 |
| Topological Polar Surface Area | 109.62 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 375.0889 |
| Heavy Atoms | 26 |
| Complexity | 941.1256 |
Chemical Identifiers
| CAS Number | 899731-66-9 |
|---|---|
| SMILES | C1CCS(=O)(=O)N(C1)C2=CC=C(C=C2)NC(=O)C3=CC=CC=C3[N+](=O)[O-] |
Product Overview
N-[4-(1,1-dioxothiazinan-2-yl)phenyl]-2-nitrobenzamide (CAS 899731-66-9), with molecular formula C17H17N3O5S and molecular weight 375.09 g/mol. IUPAC: N-[4-(1,1-dioxothiazinan-2-yl)phenyl]-2-nitrobenzamide.
Chemical Property Profile of N-[4-(1,1-dioxothiazinan-2-yl)phenyl]-2-nitrobenzamide
Property Insights of N-[4-(1,1-dioxothiazinan-2-yl)phenyl]-2-nitrobenzamide
The XLogP value of 2.7771 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-[4-(1,1-dioxothiazinan-2-yl)phenyl]-2-nitrobenzamide. The TPSA of 109.62 Ų falls within the moderate polarity range, balancing permeability and solubility for N-[4-(1,1-dioxothiazinan-2-yl)phenyl]-2-nitrobenzamide. Following Lipinski's Rule of Five, N-[4-(1,1-dioxothiazinan-2-yl)phenyl]-2-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-(1,1-dioxothiazinan-2-yl)phenyl]-2-nitrobenzamide?
The CAS number of N-[4-(1,1-dioxothiazinan-2-yl)phenyl]-2-nitrobenzamide is 899731-66-9.
What is the molecular formula of N-[4-(1,1-dioxothiazinan-2-yl)phenyl]-2-nitrobenzamide?
The molecular formula of N-[4-(1,1-dioxothiazinan-2-yl)phenyl]-2-nitrobenzamide is C17H17N3O5S.
What is the molecular weight of N-[4-(1,1-dioxothiazinan-2-yl)phenyl]-2-nitrobenzamide?
The molecular weight of N-[4-(1,1-dioxothiazinan-2-yl)phenyl]-2-nitrobenzamide is 375.09 g/mol.
Where can I buy N-[4-(1,1-dioxothiazinan-2-yl)phenyl]-2-nitrobenzamide?
You can request a quote for N-[4-(1,1-dioxothiazinan-2-yl)phenyl]-2-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-(1,1-dioxothiazinan-2-yl)phenyl]-2-nitrobenzamide?
Yes, KEHONG BIO provides custom synthesis services for N-[4-(1,1-dioxothiazinan-2-yl)phenyl]-2-nitrobenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.