Methyl 4-(2,5-dioxo-3-thiomorpholin-4-ylpyrrolidin-1-yl)benzoate
TL;DR: Methyl 4-(2,5-dioxo-3-thiomorpholin-4-ylpyrrolidin-1-yl)benzoate (CAS 313380-80-2) is a chemical compound with molecular formula C16H18N2O4S and molecular weight 334.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-(2,5-dioxo-3-thiomorpholin-4-ylpyrrolidin-1-yl)benzoate
Also Known As: BAS 00867304, methyl 4-(2,5-dioxo-3-thiomorpholin-4-ylpyrrolidin-1-yl)benzoate, AB00095684-01, methyl 4-[2,5-dioxo-3-(4-thiomorpholinyl)-1-pyrrolidinyl]benzoate, methyl 4-(2,5-dioxo-3-thiomorpholinopyrrolidin-1-yl)benzoate
| Molecular Formula | C16H18N2O4S |
|---|---|
| Molecular Weight | 334.10 g/mol |
| LogP | 1.1539 |
| Topological Polar Surface Area | 66.92 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 334.09872 |
| Heavy Atoms | 23 |
| Complexity | 625.47235 |
Chemical Identifiers
| CAS Number | 313380-80-2 |
|---|---|
| SMILES | COC(=O)C1=CC=C(C=C1)N2C(=O)CC(C2=O)N3CCSCC3 |
Product Overview
Methyl 4-(2,5-dioxo-3-thiomorpholin-4-ylpyrrolidin-1-yl)benzoate (CAS 313380-80-2), with molecular formula C16H18N2O4S and molecular weight 334.10 g/mol. IUPAC: methyl 4-(2,5-dioxo-3-thiomorpholin-4-ylpyrrolidin-1-yl)benzoate.
Chemical Property Profile of Methyl 4-(2,5-dioxo-3-thiomorpholin-4-ylpyrrolidin-1-yl)benzoate
Property Insights of Methyl 4-(2,5-dioxo-3-thiomorpholin-4-ylpyrrolidin-1-yl)benzoate
The XLogP value of 1.1539 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 4-(2,5-dioxo-3-thiomorpholin-4-ylpyrrolidin-1-yl)benzoate. The TPSA of 66.92 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 4-(2,5-dioxo-3-thiomorpholin-4-ylpyrrolidin-1-yl)benzoate. Following Lipinski's Rule of Five, Methyl 4-(2,5-dioxo-3-thiomorpholin-4-ylpyrrolidin-1-yl)benzoate has 0 hydrogen bond donor(s) and 6 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-(2,5-dioxo-3-thiomorpholin-4-ylpyrrolidin-1-yl)benzoate?
The CAS number of Methyl 4-(2,5-dioxo-3-thiomorpholin-4-ylpyrrolidin-1-yl)benzoate is 313380-80-2.
What is the molecular formula of Methyl 4-(2,5-dioxo-3-thiomorpholin-4-ylpyrrolidin-1-yl)benzoate?
The molecular formula of Methyl 4-(2,5-dioxo-3-thiomorpholin-4-ylpyrrolidin-1-yl)benzoate is C16H18N2O4S.
What is the molecular weight of Methyl 4-(2,5-dioxo-3-thiomorpholin-4-ylpyrrolidin-1-yl)benzoate?
The molecular weight of Methyl 4-(2,5-dioxo-3-thiomorpholin-4-ylpyrrolidin-1-yl)benzoate is 334.10 g/mol.
Where can I buy Methyl 4-(2,5-dioxo-3-thiomorpholin-4-ylpyrrolidin-1-yl)benzoate?
You can request a quote for Methyl 4-(2,5-dioxo-3-thiomorpholin-4-ylpyrrolidin-1-yl)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-(2,5-dioxo-3-thiomorpholin-4-ylpyrrolidin-1-yl)benzoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 4-(2,5-dioxo-3-thiomorpholin-4-ylpyrrolidin-1-yl)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.