![Methyl 4-[[[[3-(2-oxo-1-pyrrolidinyl)propyl]amino]thioxomethyl]amino]benzoate structure](/static/products/7745/774554-08-4.webp)
Methyl 4-[[[[3-(2-oxo-1-pyrrolidinyl)propyl]amino]thioxomethyl]amino]benzoate
TL;DR: Methyl 4-[[[[3-(2-oxo-1-pyrrolidinyl)propyl]amino]thioxomethyl]amino]benzoate (CAS 774554-08-4) is a chemical compound with molecular formula C16H21N3O3S and molecular weight 335.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-[3-(2-oxopyrrolidin-1-yl)propylcarbamothioylamino]benzoate
Also Known As: Methyl 4-[[[[3-(2-oxo-1-pyrrolidinyl)propyl]amino]thioxomethyl]amino]benzoate, methyl 4-({[3-(2-oxopyrrolidin-1-yl)propyl]carbamothioyl}amino)benzoate, methyl 4-[3-(2-oxopyrrolidin-1-yl)propylcarbamothioylamino]benzoate, methyl 4-[({[3-(2-oxo-1-pyrrolidinyl)propyl]amino}carbonothioyl)amino]benzoate, methyl 4-[({[3-(2-oxopyrrolidinyl)propyl]amino}thioxomethyl)amino]benzoate
| Molecular Formula | C16H21N3O3S |
|---|---|
| Molecular Weight | 335.13 g/mol |
| LogP | 1.7721 |
| Topological Polar Surface Area | 70.67 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 335.13037 |
| Heavy Atoms | 23 |
| Complexity | 574.4381 |
Chemical Identifiers
| CAS Number | 774554-08-4 |
|---|---|
| SMILES | COC(=O)C1=CC=C(C=C1)NC(=S)NCCCN2CCCC2=O |
Product Overview
Methyl 4-[[[[3-(2-oxo-1-pyrrolidinyl)propyl]amino]thioxomethyl]amino]benzoate (CAS 774554-08-4), with molecular formula C16H21N3O3S and molecular weight 335.13 g/mol. IUPAC: methyl 4-[3-(2-oxopyrrolidin-1-yl)propylcarbamothioylamino]benzoate.
Chemical Property Profile of Methyl 4-[[[[3-(2-oxo-1-pyrrolidinyl)propyl]amino]thioxomethyl]amino]benzoate
Property Insights of Methyl 4-[[[[3-(2-oxo-1-pyrrolidinyl)propyl]amino]thioxomethyl]amino]benzoate
The XLogP value of 1.7721 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 4-[[[[3-(2-oxo-1-pyrrolidinyl)propyl]amino]thioxomethyl]amino]benzoate. The TPSA of 70.67 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 4-[[[[3-(2-oxo-1-pyrrolidinyl)propyl]amino]thioxomethyl]amino]benzoate. Following Lipinski's Rule of Five, Methyl 4-[[[[3-(2-oxo-1-pyrrolidinyl)propyl]amino]thioxomethyl]amino]benzoate has 2 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 4-[[[[3-(2-oxo-1-pyrrolidinyl)propyl]amino]thioxomethyl]amino]benzoate?
The CAS number of Methyl 4-[[[[3-(2-oxo-1-pyrrolidinyl)propyl]amino]thioxomethyl]amino]benzoate is 774554-08-4.
What is the molecular formula of Methyl 4-[[[[3-(2-oxo-1-pyrrolidinyl)propyl]amino]thioxomethyl]amino]benzoate?
The molecular formula of Methyl 4-[[[[3-(2-oxo-1-pyrrolidinyl)propyl]amino]thioxomethyl]amino]benzoate is C16H21N3O3S.
What is the molecular weight of Methyl 4-[[[[3-(2-oxo-1-pyrrolidinyl)propyl]amino]thioxomethyl]amino]benzoate?
The molecular weight of Methyl 4-[[[[3-(2-oxo-1-pyrrolidinyl)propyl]amino]thioxomethyl]amino]benzoate is 335.13 g/mol.
Where can I buy Methyl 4-[[[[3-(2-oxo-1-pyrrolidinyl)propyl]amino]thioxomethyl]amino]benzoate?
You can request a quote for Methyl 4-[[[[3-(2-oxo-1-pyrrolidinyl)propyl]amino]thioxomethyl]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 4-[[[[3-(2-oxo-1-pyrrolidinyl)propyl]amino]thioxomethyl]amino]benzoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 4-[[[[3-(2-oxo-1-pyrrolidinyl)propyl]amino]thioxomethyl]amino]benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.