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Ethyl (3-thioxo-1,2,4-triazaspiro[4.7]dodec-2-yl)acetate
TL;DR: Ethyl (3-thioxo-1,2,4-triazaspiro[4.7]dodec-2-yl)acetate (CAS 6632-03-7) is a chemical compound with molecular formula C13H23N3O2S and molecular weight 285.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-(3-sulfanylidene-1,2,4-triazaspiro[4.7]dodecan-2-yl)acetate
Also Known As: ethyl (3-thioxo-1,2,4-triazaspiro[4.7]dodec-2-yl)acetate, ethyl 2-(3-sulfanylidene-1,2,4-triazaspiro[4.7]dodecan-2-yl)acetate, ethyl (3-sulfanyl-1,2,4-triazaspiro[4.7]dodec-3-en-2-yl)acetate, Ethyl (3-sulfanylidene-1,2,4-triazaspiro[4.7]dodecan-2-yl)acetate, ethyl 2-(3-thioxo-1,2,4-triazaspiro[4.7]dodecan-2-yl)acetate
| Molecular Formula | C13H23N3O2S |
|---|---|
| Molecular Weight | 285.15 g/mol |
| LogP | 1.6848 |
| Topological Polar Surface Area | 53.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 285.1511 |
| Heavy Atoms | 19 |
| Complexity | 340.78003 |
Chemical Identifiers
| CAS Number | 6632-03-7 |
|---|---|
| SMILES | CCOC(=O)CN1C(=S)NC2(N1)CCCCCCC2 |
Product Overview
Ethyl (3-thioxo-1,2,4-triazaspiro[4.7]dodec-2-yl)acetate (CAS 6632-03-7), with molecular formula C13H23N3O2S and molecular weight 285.15 g/mol. IUPAC: ethyl 2-(3-sulfanylidene-1,2,4-triazaspiro[4.7]dodecan-2-yl)acetate.
Chemical Property Profile of Ethyl (3-thioxo-1,2,4-triazaspiro[4.7]dodec-2-yl)acetate
Property Insights of Ethyl (3-thioxo-1,2,4-triazaspiro[4.7]dodec-2-yl)acetate
The XLogP value of 1.6848 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl (3-thioxo-1,2,4-triazaspiro[4.7]dodec-2-yl)acetate. With a topological polar surface area (TPSA) of 53.6 Ų, Ethyl (3-thioxo-1,2,4-triazaspiro[4.7]dodec-2-yl)acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl (3-thioxo-1,2,4-triazaspiro[4.7]dodec-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 (3-thioxo-1,2,4-triazaspiro[4.7]dodec-2-yl)acetate?
The CAS number of Ethyl (3-thioxo-1,2,4-triazaspiro[4.7]dodec-2-yl)acetate is 6632-03-7.
What is the molecular formula of Ethyl (3-thioxo-1,2,4-triazaspiro[4.7]dodec-2-yl)acetate?
The molecular formula of Ethyl (3-thioxo-1,2,4-triazaspiro[4.7]dodec-2-yl)acetate is C13H23N3O2S.
What is the molecular weight of Ethyl (3-thioxo-1,2,4-triazaspiro[4.7]dodec-2-yl)acetate?
The molecular weight of Ethyl (3-thioxo-1,2,4-triazaspiro[4.7]dodec-2-yl)acetate is 285.15 g/mol.
Where can I buy Ethyl (3-thioxo-1,2,4-triazaspiro[4.7]dodec-2-yl)acetate?
You can request a quote for Ethyl (3-thioxo-1,2,4-triazaspiro[4.7]dodec-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 (3-thioxo-1,2,4-triazaspiro[4.7]dodec-2-yl)acetate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl (3-thioxo-1,2,4-triazaspiro[4.7]dodec-2-yl)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.