![Ethyl (8-methyl-3-thioxo-1,2,4-triazaspiro[4.5]dec-2-yl)acetate structure](/static/products/488/488129-25-5.png)
Ethyl (8-methyl-3-thioxo-1,2,4-triazaspiro[4.5]dec-2-yl)acetate
TL;DR: Ethyl (8-methyl-3-thioxo-1,2,4-triazaspiro[4.5]dec-2-yl)acetate (CAS 488129-25-5) is a chemical compound with molecular formula C12H21N3O2S and molecular weight 271.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-(8-methyl-3-sulfanylidene-1,2,4-triazaspiro[4.5]decan-2-yl)acetate
Also Known As: A3353/0142306, ethyl (8-methyl-3-thioxo-1,2,4-triazaspiro[4.5]dec-2-yl)acetate, ethyl 2-(8-methyl-3-thioxo-1,2,4-triazaspiro[4.5]decan-2-yl)acetate, (8-Methyl-3-thioxo-1,2,4-triaza-spiro[4.5]dec-2-yl)-acetic acid ethyl ester, ethyl 2-(8-methyl-2-sulfanylidene-1,3,4-triazaspiro[4.5]decan-3-yl)acetate
| Molecular Formula | C12H21N3O2S |
|---|---|
| Molecular Weight | 271.14 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 85.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 271.13544 |
| Heavy Atoms | 18 |
| Complexity | 340.0 |
Chemical Identifiers
| CAS Number | 488129-25-5 |
|---|---|
| SMILES | CCOC(=O)CN1C(=S)NC2(N1)CCC(CC2)C |
| InChIKey | WCRASYGYHSZOGK-UHFFFAOYSA-N |
Product Overview
Ethyl (8-methyl-3-thioxo-1,2,4-triazaspiro[4.5]dec-2-yl)acetate (CAS 488129-25-5), with molecular formula C12H21N3O2S and molecular weight 271.14 g/mol. IUPAC: ethyl 2-(8-methyl-3-sulfanylidene-1,2,4-triazaspiro[4.5]decan-2-yl)acetate.
Chemical Property Profile of Ethyl (8-methyl-3-thioxo-1,2,4-triazaspiro[4.5]dec-2-yl)acetate
Property Insights of Ethyl (8-methyl-3-thioxo-1,2,4-triazaspiro[4.5]dec-2-yl)acetate
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl (8-methyl-3-thioxo-1,2,4-triazaspiro[4.5]dec-2-yl)acetate. The TPSA of 85.7 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl (8-methyl-3-thioxo-1,2,4-triazaspiro[4.5]dec-2-yl)acetate. Following Lipinski's Rule of Five, Ethyl (8-methyl-3-thioxo-1,2,4-triazaspiro[4.5]dec-2-yl)acetate 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 Ethyl (8-methyl-3-thioxo-1,2,4-triazaspiro[4.5]dec-2-yl)acetate?
The CAS number of Ethyl (8-methyl-3-thioxo-1,2,4-triazaspiro[4.5]dec-2-yl)acetate is 488129-25-5.
What is the molecular formula of Ethyl (8-methyl-3-thioxo-1,2,4-triazaspiro[4.5]dec-2-yl)acetate?
The molecular formula of Ethyl (8-methyl-3-thioxo-1,2,4-triazaspiro[4.5]dec-2-yl)acetate is C12H21N3O2S.
What is the molecular weight of Ethyl (8-methyl-3-thioxo-1,2,4-triazaspiro[4.5]dec-2-yl)acetate?
The molecular weight of Ethyl (8-methyl-3-thioxo-1,2,4-triazaspiro[4.5]dec-2-yl)acetate is 271.14 g/mol.
Where can I buy Ethyl (8-methyl-3-thioxo-1,2,4-triazaspiro[4.5]dec-2-yl)acetate?
You can request a quote for Ethyl (8-methyl-3-thioxo-1,2,4-triazaspiro[4.5]dec-2-yl)acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl (8-methyl-3-thioxo-1,2,4-triazaspiro[4.5]dec-2-yl)acetate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl (8-methyl-3-thioxo-1,2,4-triazaspiro[4.5]dec-2-yl)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.