4-(1,1-dioxothiazinan-2-yl)-N-(4-fluoro-3-nitrophenyl)benzamide
TL;DR: 4-(1,1-dioxothiazinan-2-yl)-N-(4-fluoro-3-nitrophenyl)benzamide (CAS 899952-86-4) is a chemical compound with molecular formula C17H16FN3O5S and molecular weight 393.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(1,1-dioxothiazinan-2-yl)-N-(4-fluoro-3-nitrophenyl)benzamide
Also Known As: VU0498380-1, 4-(1,1-dioxo-1lambda6,2-thiazinan-2-yl)-N-(4-fluoro-3-nitrophenyl)benzamide, F2781-0064, 4-(1,1-dioxothiazinan-2-yl)-N-(4-fluoro-3-nitrophenyl)benzamide, 4-(1,1-dioxido-1,2-thiazinan-2-yl)-N-(4-fluoro-3-nitrophenyl)benzamide
| Molecular Formula | C17H16FN3O5S |
|---|---|
| Molecular Weight | 393.08 g/mol |
| LogP | 2.9162 |
| Topological Polar Surface Area | 109.62 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 393.07947 |
| Heavy Atoms | 27 |
| Complexity | 992.12854 |
Chemical Identifiers
| CAS Number | 899952-86-4 |
|---|---|
| SMILES | C1CCS(=O)(=O)N(C1)C2=CC=C(C=C2)C(=O)NC3=CC(=C(C=C3)F)[N+](=O)[O-] |
Product Overview
4-(1,1-dioxothiazinan-2-yl)-N-(4-fluoro-3-nitrophenyl)benzamide (CAS 899952-86-4), with molecular formula C17H16FN3O5S and molecular weight 393.08 g/mol. IUPAC: 4-(1,1-dioxothiazinan-2-yl)-N-(4-fluoro-3-nitrophenyl)benzamide.
Chemical Property Profile of 4-(1,1-dioxothiazinan-2-yl)-N-(4-fluoro-3-nitrophenyl)benzamide
Property Insights of 4-(1,1-dioxothiazinan-2-yl)-N-(4-fluoro-3-nitrophenyl)benzamide
The XLogP value of 2.9162 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(1,1-dioxothiazinan-2-yl)-N-(4-fluoro-3-nitrophenyl)benzamide. The TPSA of 109.62 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(1,1-dioxothiazinan-2-yl)-N-(4-fluoro-3-nitrophenyl)benzamide. Following Lipinski's Rule of Five, 4-(1,1-dioxothiazinan-2-yl)-N-(4-fluoro-3-nitrophenyl)benzamide 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 4-(1,1-dioxothiazinan-2-yl)-N-(4-fluoro-3-nitrophenyl)benzamide?
The CAS number of 4-(1,1-dioxothiazinan-2-yl)-N-(4-fluoro-3-nitrophenyl)benzamide is 899952-86-4.
What is the molecular formula of 4-(1,1-dioxothiazinan-2-yl)-N-(4-fluoro-3-nitrophenyl)benzamide?
The molecular formula of 4-(1,1-dioxothiazinan-2-yl)-N-(4-fluoro-3-nitrophenyl)benzamide is C17H16FN3O5S.
What is the molecular weight of 4-(1,1-dioxothiazinan-2-yl)-N-(4-fluoro-3-nitrophenyl)benzamide?
The molecular weight of 4-(1,1-dioxothiazinan-2-yl)-N-(4-fluoro-3-nitrophenyl)benzamide is 393.08 g/mol.
Where can I buy 4-(1,1-dioxothiazinan-2-yl)-N-(4-fluoro-3-nitrophenyl)benzamide?
You can request a quote for 4-(1,1-dioxothiazinan-2-yl)-N-(4-fluoro-3-nitrophenyl)benzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(1,1-dioxothiazinan-2-yl)-N-(4-fluoro-3-nitrophenyl)benzamide?
Yes, KEHONG BIO provides custom synthesis services for 4-(1,1-dioxothiazinan-2-yl)-N-(4-fluoro-3-nitrophenyl)benzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.