1-((4-(3-Morpholinopropyl)-5-thioxo-4,5-dihydro-1H-1,2,4-triazol-3-yl)methyl)pyrrolidin-2-one
TL;DR: 1-((4-(3-Morpholinopropyl)-5-thioxo-4,5-dihydro-1H-1,2,4-triazol-3-yl)methyl)pyrrolidin-2-one (CAS 1006654-84-7) is a chemical compound with molecular formula C14H23N5O2S and molecular weight 325.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[[4-(3-morpholin-4-ylpropyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]methyl]pyrrolidin-2-one
Also Known As: 1-((4-(3-Morpholinopropyl)-5-thioxo-4,5-dihydro-1H-1,2,4-triazol-3-yl)methyl)pyrrolidin-2-one, 1-[[4-(3-morpholin-4-ylpropyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]methyl]pyrrolidin-2-one
| Molecular Formula | C14H23N5O2S |
|---|---|
| Molecular Weight | 325.16 g/mol |
| LogP | 0.78539 |
| Topological Polar Surface Area | 66.39 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 325.15726 |
| Heavy Atoms | 22 |
| Complexity | 563.8246 |
Chemical Identifiers
| CAS Number | 1006654-84-7 |
|---|---|
| SMILES | C1CC(=O)N(C1)CC2=NNC(=S)N2CCCN3CCOCC3 |
Product Overview
1-((4-(3-Morpholinopropyl)-5-thioxo-4,5-dihydro-1H-1,2,4-triazol-3-yl)methyl)pyrrolidin-2-one (CAS 1006654-84-7), with molecular formula C14H23N5O2S and molecular weight 325.16 g/mol. IUPAC: 1-[[4-(3-morpholin-4-ylpropyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]methyl]pyrrolidin-2-one.
Chemical Property Profile of 1-((4-(3-Morpholinopropyl)-5-thioxo-4,5-dihydro-1H-1,2,4-triazol-3-yl)methyl)pyrrolidin-2-one
Property Insights of 1-((4-(3-Morpholinopropyl)-5-thioxo-4,5-dihydro-1H-1,2,4-triazol-3-yl)methyl)pyrrolidin-2-one
The XLogP value of 0.78539 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-((4-(3-Morpholinopropyl)-5-thioxo-4,5-dihydro-1H-1,2,4-triazol-3-yl)methyl)pyrrolidin-2-one. The TPSA of 66.39 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-((4-(3-Morpholinopropyl)-5-thioxo-4,5-dihydro-1H-1,2,4-triazol-3-yl)methyl)pyrrolidin-2-one. Following Lipinski's Rule of Five, 1-((4-(3-Morpholinopropyl)-5-thioxo-4,5-dihydro-1H-1,2,4-triazol-3-yl)methyl)pyrrolidin-2-one 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 1-((4-(3-Morpholinopropyl)-5-thioxo-4,5-dihydro-1H-1,2,4-triazol-3-yl)methyl)pyrrolidin-2-one?
The CAS number of 1-((4-(3-Morpholinopropyl)-5-thioxo-4,5-dihydro-1H-1,2,4-triazol-3-yl)methyl)pyrrolidin-2-one is 1006654-84-7.
What is the molecular formula of 1-((4-(3-Morpholinopropyl)-5-thioxo-4,5-dihydro-1H-1,2,4-triazol-3-yl)methyl)pyrrolidin-2-one?
The molecular formula of 1-((4-(3-Morpholinopropyl)-5-thioxo-4,5-dihydro-1H-1,2,4-triazol-3-yl)methyl)pyrrolidin-2-one is C14H23N5O2S.
What is the molecular weight of 1-((4-(3-Morpholinopropyl)-5-thioxo-4,5-dihydro-1H-1,2,4-triazol-3-yl)methyl)pyrrolidin-2-one?
The molecular weight of 1-((4-(3-Morpholinopropyl)-5-thioxo-4,5-dihydro-1H-1,2,4-triazol-3-yl)methyl)pyrrolidin-2-one is 325.16 g/mol.
Where can I buy 1-((4-(3-Morpholinopropyl)-5-thioxo-4,5-dihydro-1H-1,2,4-triazol-3-yl)methyl)pyrrolidin-2-one?
You can request a quote for 1-((4-(3-Morpholinopropyl)-5-thioxo-4,5-dihydro-1H-1,2,4-triazol-3-yl)methyl)pyrrolidin-2-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-((4-(3-Morpholinopropyl)-5-thioxo-4,5-dihydro-1H-1,2,4-triazol-3-yl)methyl)pyrrolidin-2-one?
Yes, KEHONG BIO provides custom synthesis services for 1-((4-(3-Morpholinopropyl)-5-thioxo-4,5-dihydro-1H-1,2,4-triazol-3-yl)methyl)pyrrolidin-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.