![Ethyl 4-({[3-(1,1-dioxido-1,2-thiazinan-2-yl)phenyl]carbonyl}amino)benzoate structure](/static/products/101/1011957-22-4.png)
Ethyl 4-({[3-(1,1-dioxido-1,2-thiazinan-2-yl)phenyl]carbonyl}amino)benzoate
TL;DR: Ethyl 4-({[3-(1,1-dioxido-1,2-thiazinan-2-yl)phenyl]carbonyl}amino)benzoate (CAS 1011957-22-4) is a chemical compound with molecular formula C20H22N2O5S and molecular weight 402.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[[3-(1,1-dioxothiazinan-2-yl)benzoyl]amino]benzoate
Also Known As: ethyl 4-[[3-(1,1-dioxothiazinan-2-yl)benzoyl]amino]benzoate, ethyl 4-(3-(1,1-dioxido-1,2-thiazinan-2-yl)benzamido)benzoate, ethyl 4-({[3-(1,1-dioxido-1,2-thiazinan-2-yl)phenyl]carbonyl}amino)benzoate
| Molecular Formula | C20H22N2O5S |
|---|---|
| Molecular Weight | 402.12 g/mol |
| LogP | 3.0456 |
| Topological Polar Surface Area | 92.78 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 402.12494 |
| Heavy Atoms | 28 |
| Complexity | 970.3455 |
Chemical Identifiers
| CAS Number | 1011957-22-4 |
|---|---|
| SMILES | CCOC(=O)C1=CC=C(C=C1)NC(=O)C2=CC(=CC=C2)N3CCCCS3(=O)=O |
Product Overview
Ethyl 4-({[3-(1,1-dioxido-1,2-thiazinan-2-yl)phenyl]carbonyl}amino)benzoate (CAS 1011957-22-4), with molecular formula C20H22N2O5S and molecular weight 402.12 g/mol. IUPAC: ethyl 4-[[3-(1,1-dioxothiazinan-2-yl)benzoyl]amino]benzoate.
Chemical Property Profile of Ethyl 4-({[3-(1,1-dioxido-1,2-thiazinan-2-yl)phenyl]carbonyl}amino)benzoate
Property Insights of Ethyl 4-({[3-(1,1-dioxido-1,2-thiazinan-2-yl)phenyl]carbonyl}amino)benzoate
The XLogP value of 3.0456 indicates that Ethyl 4-({[3-(1,1-dioxido-1,2-thiazinan-2-yl)phenyl]carbonyl}amino)benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 92.78 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 4-({[3-(1,1-dioxido-1,2-thiazinan-2-yl)phenyl]carbonyl}amino)benzoate. Following Lipinski's Rule of Five, Ethyl 4-({[3-(1,1-dioxido-1,2-thiazinan-2-yl)phenyl]carbonyl}amino)benzoate 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 Ethyl 4-({[3-(1,1-dioxido-1,2-thiazinan-2-yl)phenyl]carbonyl}amino)benzoate?
The CAS number of Ethyl 4-({[3-(1,1-dioxido-1,2-thiazinan-2-yl)phenyl]carbonyl}amino)benzoate is 1011957-22-4.
What is the molecular formula of Ethyl 4-({[3-(1,1-dioxido-1,2-thiazinan-2-yl)phenyl]carbonyl}amino)benzoate?
The molecular formula of Ethyl 4-({[3-(1,1-dioxido-1,2-thiazinan-2-yl)phenyl]carbonyl}amino)benzoate is C20H22N2O5S.
What is the molecular weight of Ethyl 4-({[3-(1,1-dioxido-1,2-thiazinan-2-yl)phenyl]carbonyl}amino)benzoate?
The molecular weight of Ethyl 4-({[3-(1,1-dioxido-1,2-thiazinan-2-yl)phenyl]carbonyl}amino)benzoate is 402.12 g/mol.
Where can I buy Ethyl 4-({[3-(1,1-dioxido-1,2-thiazinan-2-yl)phenyl]carbonyl}amino)benzoate?
You can request a quote for Ethyl 4-({[3-(1,1-dioxido-1,2-thiazinan-2-yl)phenyl]carbonyl}amino)benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 4-({[3-(1,1-dioxido-1,2-thiazinan-2-yl)phenyl]carbonyl}amino)benzoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 4-({[3-(1,1-dioxido-1,2-thiazinan-2-yl)phenyl]carbonyl}amino)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.