4-chloro-3-(1,1-dioxido-1,2-thiazinan-2-yl)-N-(4-fluorobenzyl)benzamide
TL;DR: 4-chloro-3-(1,1-dioxido-1,2-thiazinan-2-yl)-N-(4-fluorobenzyl)benzamide (CAS 1011706-90-3) is a chemical compound with molecular formula C18H18ClFN2O3S and molecular weight 396.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-chloro-3-(1,1-dioxothiazinan-2-yl)-N-[(4-fluorophenyl)methyl]benzamide
Also Known As: 4-chloro-3-(1,1-dioxido-1,2-thiazinan-2-yl)-N-(4-fluorobenzyl)benzamide, 4-chloro-3-(1,1-dioxothiazinan-2-yl)-N-[(4-fluorophenyl)methyl]benzamide
| Molecular Formula | C18H18ClFN2O3S |
|---|---|
| Molecular Weight | 396.07 g/mol |
| LogP | 3.3391 |
| Topological Polar Surface Area | 66.48 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 396.07108 |
| Heavy Atoms | 26 |
| Complexity | 916.5335 |
Chemical Identifiers
| CAS Number | 1011706-90-3 |
|---|---|
| SMILES | C1CCS(=O)(=O)N(C1)C2=C(C=CC(=C2)C(=O)NCC3=CC=C(C=C3)F)Cl |
Product Overview
4-chloro-3-(1,1-dioxido-1,2-thiazinan-2-yl)-N-(4-fluorobenzyl)benzamide (CAS 1011706-90-3), with molecular formula C18H18ClFN2O3S and molecular weight 396.07 g/mol. IUPAC: 4-chloro-3-(1,1-dioxothiazinan-2-yl)-N-[(4-fluorophenyl)methyl]benzamide.
Chemical Property Profile of 4-chloro-3-(1,1-dioxido-1,2-thiazinan-2-yl)-N-(4-fluorobenzyl)benzamide
Property Insights of 4-chloro-3-(1,1-dioxido-1,2-thiazinan-2-yl)-N-(4-fluorobenzyl)benzamide
The XLogP value of 3.3391 indicates that 4-chloro-3-(1,1-dioxido-1,2-thiazinan-2-yl)-N-(4-fluorobenzyl)benzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 66.48 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-chloro-3-(1,1-dioxido-1,2-thiazinan-2-yl)-N-(4-fluorobenzyl)benzamide. Following Lipinski's Rule of Five, 4-chloro-3-(1,1-dioxido-1,2-thiazinan-2-yl)-N-(4-fluorobenzyl)benzamide has 1 hydrogen bond donor(s) and 3 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-chloro-3-(1,1-dioxido-1,2-thiazinan-2-yl)-N-(4-fluorobenzyl)benzamide?
The CAS number of 4-chloro-3-(1,1-dioxido-1,2-thiazinan-2-yl)-N-(4-fluorobenzyl)benzamide is 1011706-90-3.
What is the molecular formula of 4-chloro-3-(1,1-dioxido-1,2-thiazinan-2-yl)-N-(4-fluorobenzyl)benzamide?
The molecular formula of 4-chloro-3-(1,1-dioxido-1,2-thiazinan-2-yl)-N-(4-fluorobenzyl)benzamide is C18H18ClFN2O3S.
What is the molecular weight of 4-chloro-3-(1,1-dioxido-1,2-thiazinan-2-yl)-N-(4-fluorobenzyl)benzamide?
The molecular weight of 4-chloro-3-(1,1-dioxido-1,2-thiazinan-2-yl)-N-(4-fluorobenzyl)benzamide is 396.07 g/mol.
Where can I buy 4-chloro-3-(1,1-dioxido-1,2-thiazinan-2-yl)-N-(4-fluorobenzyl)benzamide?
You can request a quote for 4-chloro-3-(1,1-dioxido-1,2-thiazinan-2-yl)-N-(4-fluorobenzyl)benzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-chloro-3-(1,1-dioxido-1,2-thiazinan-2-yl)-N-(4-fluorobenzyl)benzamide?
Yes, KEHONG BIO provides custom synthesis services for 4-chloro-3-(1,1-dioxido-1,2-thiazinan-2-yl)-N-(4-fluorobenzyl)benzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.