![2-chloro-N-[4-(1,1-dioxothiazinan-2-yl)phenyl]-4-nitrobenzamide structure](/static/products/899/899731-85-2.png)
2-chloro-N-[4-(1,1-dioxothiazinan-2-yl)phenyl]-4-nitrobenzamide
TL;DR: 2-chloro-N-[4-(1,1-dioxothiazinan-2-yl)phenyl]-4-nitrobenzamide (CAS 899731-85-2) is a chemical compound with molecular formula C17H16ClN3O5S and molecular weight 409.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-chloro-N-[4-(1,1-dioxothiazinan-2-yl)phenyl]-4-nitrobenzamide
Also Known As: VU0499347-1, AB00681492-01, 2-chloro-N-[4-(1,1-dioxo-1lambda6,2-thiazinan-2-yl)phenyl]-4-nitrobenzamide, F2794-0088, 2-chloro-N-[4-(1,1-dioxothiazinan-2-yl)phenyl]-4-nitrobenzamide
| Molecular Formula | C17H16ClN3O5S |
|---|---|
| Molecular Weight | 409.05 g/mol |
| LogP | 3.4305 |
| Topological Polar Surface Area | 109.62 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 409.04993 |
| Heavy Atoms | 27 |
| Complexity | 992.12854 |
Chemical Identifiers
| CAS Number | 899731-85-2 |
|---|---|
| SMILES | C1CCS(=O)(=O)N(C1)C2=CC=C(C=C2)NC(=O)C3=C(C=C(C=C3)[N+](=O)[O-])Cl |
Product Overview
2-chloro-N-[4-(1,1-dioxothiazinan-2-yl)phenyl]-4-nitrobenzamide (CAS 899731-85-2), with molecular formula C17H16ClN3O5S and molecular weight 409.05 g/mol. IUPAC: 2-chloro-N-[4-(1,1-dioxothiazinan-2-yl)phenyl]-4-nitrobenzamide.
Chemical Property Profile of 2-chloro-N-[4-(1,1-dioxothiazinan-2-yl)phenyl]-4-nitrobenzamide
Property Insights of 2-chloro-N-[4-(1,1-dioxothiazinan-2-yl)phenyl]-4-nitrobenzamide
The XLogP value of 3.4305 indicates that 2-chloro-N-[4-(1,1-dioxothiazinan-2-yl)phenyl]-4-nitrobenzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 109.62 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-chloro-N-[4-(1,1-dioxothiazinan-2-yl)phenyl]-4-nitrobenzamide. Following Lipinski's Rule of Five, 2-chloro-N-[4-(1,1-dioxothiazinan-2-yl)phenyl]-4-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 2-chloro-N-[4-(1,1-dioxothiazinan-2-yl)phenyl]-4-nitrobenzamide?
The CAS number of 2-chloro-N-[4-(1,1-dioxothiazinan-2-yl)phenyl]-4-nitrobenzamide is 899731-85-2.
What is the molecular formula of 2-chloro-N-[4-(1,1-dioxothiazinan-2-yl)phenyl]-4-nitrobenzamide?
The molecular formula of 2-chloro-N-[4-(1,1-dioxothiazinan-2-yl)phenyl]-4-nitrobenzamide is C17H16ClN3O5S.
What is the molecular weight of 2-chloro-N-[4-(1,1-dioxothiazinan-2-yl)phenyl]-4-nitrobenzamide?
The molecular weight of 2-chloro-N-[4-(1,1-dioxothiazinan-2-yl)phenyl]-4-nitrobenzamide is 409.05 g/mol.
Where can I buy 2-chloro-N-[4-(1,1-dioxothiazinan-2-yl)phenyl]-4-nitrobenzamide?
You can request a quote for 2-chloro-N-[4-(1,1-dioxothiazinan-2-yl)phenyl]-4-nitrobenzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-chloro-N-[4-(1,1-dioxothiazinan-2-yl)phenyl]-4-nitrobenzamide?
Yes, KEHONG BIO provides custom synthesis services for 2-chloro-N-[4-(1,1-dioxothiazinan-2-yl)phenyl]-4-nitrobenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.