![Methyl 2-({[3-(1,1-dioxido-1,2-thiazinan-2-yl)phenyl]carbonyl}amino)benzoate structure](/static/products/101/1011705-49-9.png)
Methyl 2-({[3-(1,1-dioxido-1,2-thiazinan-2-yl)phenyl]carbonyl}amino)benzoate
TL;DR: Methyl 2-({[3-(1,1-dioxido-1,2-thiazinan-2-yl)phenyl]carbonyl}amino)benzoate (CAS 1011705-49-9) is a chemical compound with molecular formula C19H20N2O5S and molecular weight 388.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[[3-(1,1-dioxothiazinan-2-yl)benzoyl]amino]benzoate
Also Known As: methyl 2-[[3-(1,1-dioxothiazinan-2-yl)benzoyl]amino]benzoate, methyl 2-(3-(1,1-dioxido-1,2-thiazinan-2-yl)benzamido)benzoate, methyl 2-({[3-(1,1-dioxido-1,2-thiazinan-2-yl)phenyl]carbonyl}amino)benzoate
| Molecular Formula | C19H20N2O5S |
|---|---|
| Molecular Weight | 388.11 g/mol |
| LogP | 2.6555 |
| Topological Polar Surface Area | 92.78 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 388.10928 |
| Heavy Atoms | 27 |
| Complexity | 971.57025 |
Chemical Identifiers
| CAS Number | 1011705-49-9 |
|---|---|
| SMILES | COC(=O)C1=CC=CC=C1NC(=O)C2=CC(=CC=C2)N3CCCCS3(=O)=O |
Product Overview
Methyl 2-({[3-(1,1-dioxido-1,2-thiazinan-2-yl)phenyl]carbonyl}amino)benzoate (CAS 1011705-49-9), with molecular formula C19H20N2O5S and molecular weight 388.11 g/mol. IUPAC: methyl 2-[[3-(1,1-dioxothiazinan-2-yl)benzoyl]amino]benzoate.
Chemical Property Profile of Methyl 2-({[3-(1,1-dioxido-1,2-thiazinan-2-yl)phenyl]carbonyl}amino)benzoate
Property Insights of Methyl 2-({[3-(1,1-dioxido-1,2-thiazinan-2-yl)phenyl]carbonyl}amino)benzoate
The XLogP value of 2.6555 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 2-({[3-(1,1-dioxido-1,2-thiazinan-2-yl)phenyl]carbonyl}amino)benzoate. The TPSA of 92.78 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 2-({[3-(1,1-dioxido-1,2-thiazinan-2-yl)phenyl]carbonyl}amino)benzoate. Following Lipinski's Rule of Five, Methyl 2-({[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 Methyl 2-({[3-(1,1-dioxido-1,2-thiazinan-2-yl)phenyl]carbonyl}amino)benzoate?
The CAS number of Methyl 2-({[3-(1,1-dioxido-1,2-thiazinan-2-yl)phenyl]carbonyl}amino)benzoate is 1011705-49-9.
What is the molecular formula of Methyl 2-({[3-(1,1-dioxido-1,2-thiazinan-2-yl)phenyl]carbonyl}amino)benzoate?
The molecular formula of Methyl 2-({[3-(1,1-dioxido-1,2-thiazinan-2-yl)phenyl]carbonyl}amino)benzoate is C19H20N2O5S.
What is the molecular weight of Methyl 2-({[3-(1,1-dioxido-1,2-thiazinan-2-yl)phenyl]carbonyl}amino)benzoate?
The molecular weight of Methyl 2-({[3-(1,1-dioxido-1,2-thiazinan-2-yl)phenyl]carbonyl}amino)benzoate is 388.11 g/mol.
Where can I buy Methyl 2-({[3-(1,1-dioxido-1,2-thiazinan-2-yl)phenyl]carbonyl}amino)benzoate?
You can request a quote for Methyl 2-({[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 Methyl 2-({[3-(1,1-dioxido-1,2-thiazinan-2-yl)phenyl]carbonyl}amino)benzoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 2-({[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.