3-(2-(5-mercapto-4H-1,2,4-triazol-3-yl)ethyl)-5,5-dimethyldihydrofuran-2(3H)-one
TL;DR: 3-(2-(5-mercapto-4H-1,2,4-triazol-3-yl)ethyl)-5,5-dimethyldihydrofuran-2(3H)-one (CAS 695216-81-0) is a chemical compound with molecular formula C10H15N3O2S and molecular weight 241.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5,5-dimethyl-3-[2-(5-sulfanylidene-1,2-dihydro-1,2,4-triazol-3-yl)ethyl]oxolan-2-one
Also Known As: ChemDiv3_006484, IDI1_024394, A3541/0150084, 3-(2-(5-mercapto-4H-1,2,4-triazol-3-yl)ethyl)-5,5-dimethyldihydrofuran-2(3H)-one, 3-[2-(5-mercapto-4H-1,2,4-triazol-3-yl)ethyl]-5,5-dimethyldihydro-2(3H)-furanone
| Molecular Formula | C10H15N3O2S |
|---|---|
| Molecular Weight | 241.09 g/mol |
| LogP | 1.74159 |
| Topological Polar Surface Area | 70.77 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 241.0885 |
| Heavy Atoms | 16 |
| Complexity | 448.91666 |
Chemical Identifiers
| CAS Number | 695216-81-0 |
|---|---|
| SMILES | CC1(CC(C(=O)O1)CCC2=NC(=S)NN2)C |
Product Overview
3-(2-(5-mercapto-4H-1,2,4-triazol-3-yl)ethyl)-5,5-dimethyldihydrofuran-2(3H)-one (CAS 695216-81-0), with molecular formula C10H15N3O2S and molecular weight 241.09 g/mol. IUPAC: 5,5-dimethyl-3-[2-(5-sulfanylidene-1,2-dihydro-1,2,4-triazol-3-yl)ethyl]oxolan-2-one.
Chemical Property Profile of 3-(2-(5-mercapto-4H-1,2,4-triazol-3-yl)ethyl)-5,5-dimethyldihydrofuran-2(3H)-one
Property Insights of 3-(2-(5-mercapto-4H-1,2,4-triazol-3-yl)ethyl)-5,5-dimethyldihydrofuran-2(3H)-one
The XLogP value of 1.74159 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(2-(5-mercapto-4H-1,2,4-triazol-3-yl)ethyl)-5,5-dimethyldihydrofuran-2(3H)-one. The TPSA of 70.77 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(2-(5-mercapto-4H-1,2,4-triazol-3-yl)ethyl)-5,5-dimethyldihydrofuran-2(3H)-one. Following Lipinski's Rule of Five, 3-(2-(5-mercapto-4H-1,2,4-triazol-3-yl)ethyl)-5,5-dimethyldihydrofuran-2(3H)-one 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 3-(2-(5-mercapto-4H-1,2,4-triazol-3-yl)ethyl)-5,5-dimethyldihydrofuran-2(3H)-one?
The CAS number of 3-(2-(5-mercapto-4H-1,2,4-triazol-3-yl)ethyl)-5,5-dimethyldihydrofuran-2(3H)-one is 695216-81-0.
What is the molecular formula of 3-(2-(5-mercapto-4H-1,2,4-triazol-3-yl)ethyl)-5,5-dimethyldihydrofuran-2(3H)-one?
The molecular formula of 3-(2-(5-mercapto-4H-1,2,4-triazol-3-yl)ethyl)-5,5-dimethyldihydrofuran-2(3H)-one is C10H15N3O2S.
What is the molecular weight of 3-(2-(5-mercapto-4H-1,2,4-triazol-3-yl)ethyl)-5,5-dimethyldihydrofuran-2(3H)-one?
The molecular weight of 3-(2-(5-mercapto-4H-1,2,4-triazol-3-yl)ethyl)-5,5-dimethyldihydrofuran-2(3H)-one is 241.09 g/mol.
Where can I buy 3-(2-(5-mercapto-4H-1,2,4-triazol-3-yl)ethyl)-5,5-dimethyldihydrofuran-2(3H)-one?
You can request a quote for 3-(2-(5-mercapto-4H-1,2,4-triazol-3-yl)ethyl)-5,5-dimethyldihydrofuran-2(3H)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(2-(5-mercapto-4H-1,2,4-triazol-3-yl)ethyl)-5,5-dimethyldihydrofuran-2(3H)-one?
Yes, KEHONG BIO provides custom synthesis services for 3-(2-(5-mercapto-4H-1,2,4-triazol-3-yl)ethyl)-5,5-dimethyldihydrofuran-2(3H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.