Methyl 2-((4-morpholinylthioxomethyl)amino)benzoate
TL;DR: Methyl 2-((4-morpholinylthioxomethyl)amino)benzoate (CAS 21282-67-7) is a chemical compound with molecular formula C13H16N2O3S and molecular weight 280.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-(morpholine-4-carbothioylamino)benzoate
Also Known As: Methyl 2-[(4-morpholinylthioxomethyl)amino]benzoate, methyl 2-(morpholine-4-carbothioylamino)benzoate, methyl 2-[(4-morpholinylcarbonothioyl)amino]benzoate, Methyl 2-((4-morpholinylthioxomethyl)amino)benzoate, Methyl 2-[(morpholine-4-carbothioyl)amino]benzoate
| Molecular Formula | C13H16N2O3S |
|---|---|
| Molecular Weight | 280.09 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 82.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 280.08817 |
| Heavy Atoms | 19 |
| Complexity | 332.0 |
Chemical Identifiers
| CAS Number | 21282-67-7 |
|---|---|
| SMILES | COC(=O)C1=CC=CC=C1NC(=S)N2CCOCC2 |
| InChIKey | GYPDAKCLDBDSFN-UHFFFAOYSA-N |
Product Overview
Methyl 2-((4-morpholinylthioxomethyl)amino)benzoate (CAS 21282-67-7), with molecular formula C13H16N2O3S and molecular weight 280.09 g/mol. IUPAC: methyl 2-(morpholine-4-carbothioylamino)benzoate.
Chemical Property Profile of Methyl 2-((4-morpholinylthioxomethyl)amino)benzoate
Property Insights of Methyl 2-((4-morpholinylthioxomethyl)amino)benzoate
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 2-((4-morpholinylthioxomethyl)amino)benzoate. The TPSA of 82.9 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 2-((4-morpholinylthioxomethyl)amino)benzoate. Following Lipinski's Rule of Five, Methyl 2-((4-morpholinylthioxomethyl)amino)benzoate has 1 hydrogen bond donor(s) and 4 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-((4-morpholinylthioxomethyl)amino)benzoate?
The CAS number of Methyl 2-((4-morpholinylthioxomethyl)amino)benzoate is 21282-67-7.
What is the molecular formula of Methyl 2-((4-morpholinylthioxomethyl)amino)benzoate?
The molecular formula of Methyl 2-((4-morpholinylthioxomethyl)amino)benzoate is C13H16N2O3S.
What is the molecular weight of Methyl 2-((4-morpholinylthioxomethyl)amino)benzoate?
The molecular weight of Methyl 2-((4-morpholinylthioxomethyl)amino)benzoate is 280.09 g/mol.
Where can I buy Methyl 2-((4-morpholinylthioxomethyl)amino)benzoate?
You can request a quote for Methyl 2-((4-morpholinylthioxomethyl)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-((4-morpholinylthioxomethyl)amino)benzoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 2-((4-morpholinylthioxomethyl)amino)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.