![3-(2,5-dimethoxyphenyl)-1,4,6-triazatricyclo[6.2.2.0~2,7~]dodec-2(7)-ene-5-thione structure](/static/products/860/860644-69-5.png)
3-(2,5-dimethoxyphenyl)-1,4,6-triazatricyclo[6.2.2.0~2,7~]dodec-2(7)-ene-5-thione
TL;DR: 3-(2,5-dimethoxyphenyl)-1,4,6-triazatricyclo[6.2.2.0~2,7~]dodec-2(7)-ene-5-thione (CAS 860644-69-5) is a chemical compound with molecular formula C17H21N3O2S and molecular weight 331.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(2,5-dimethoxyphenyl)-1,4,6-triazatricyclo[6.2.2.02,7]dodec-2(7)-ene-5-thione
Also Known As: 3-(2,5-dimethoxyphenyl)-1,4,6-triazatricyclo[6.2.2.0~2,7~]dodec-2(7)-ene-5-thione, 10X-0040, 3-(2,5-dimethoxyphenyl)-1,4,6-triazatricyclo[6.2.2.0^{2,7}]dodec-2(7)-ene-5-thione, 3-(2,5-dimethoxyphenyl)-1,4,6-triazatricyclo[6.2.2.02,7]dodec-2(7)-ene-5-thione
| Molecular Formula | C17H21N3O2S |
|---|---|
| Molecular Weight | 331.14 g/mol |
| LogP | 2.1598 |
| Topological Polar Surface Area | 45.76 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 331.13544 |
| Heavy Atoms | 23 |
| Complexity | 680.4161 |
Chemical Identifiers
| CAS Number | 860644-69-5 |
|---|---|
| SMILES | COC1=CC(=C(C=C1)OC)C2C3=C(C4CCN3CC4)NC(=S)N2 |
Product Overview
3-(2,5-dimethoxyphenyl)-1,4,6-triazatricyclo[6.2.2.0~2,7~]dodec-2(7)-ene-5-thione (CAS 860644-69-5), with molecular formula C17H21N3O2S and molecular weight 331.14 g/mol. IUPAC: 3-(2,5-dimethoxyphenyl)-1,4,6-triazatricyclo[6.2.2.02,7]dodec-2(7)-ene-5-thione.
Chemical Property Profile of 3-(2,5-dimethoxyphenyl)-1,4,6-triazatricyclo[6.2.2.0~2,7~]dodec-2(7)-ene-5-thione
Property Insights of 3-(2,5-dimethoxyphenyl)-1,4,6-triazatricyclo[6.2.2.0~2,7~]dodec-2(7)-ene-5-thione
The XLogP value of 2.1598 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(2,5-dimethoxyphenyl)-1,4,6-triazatricyclo[6.2.2.0~2,7~]dodec-2(7)-ene-5-thione. With a topological polar surface area (TPSA) of 45.76 Ų, 3-(2,5-dimethoxyphenyl)-1,4,6-triazatricyclo[6.2.2.0~2,7~]dodec-2(7)-ene-5-thione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(2,5-dimethoxyphenyl)-1,4,6-triazatricyclo[6.2.2.0~2,7~]dodec-2(7)-ene-5-thione 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-dimethoxyphenyl)-1,4,6-triazatricyclo[6.2.2.0~2,7~]dodec-2(7)-ene-5-thione?
The CAS number of 3-(2,5-dimethoxyphenyl)-1,4,6-triazatricyclo[6.2.2.0~2,7~]dodec-2(7)-ene-5-thione is 860644-69-5.
What is the molecular formula of 3-(2,5-dimethoxyphenyl)-1,4,6-triazatricyclo[6.2.2.0~2,7~]dodec-2(7)-ene-5-thione?
The molecular formula of 3-(2,5-dimethoxyphenyl)-1,4,6-triazatricyclo[6.2.2.0~2,7~]dodec-2(7)-ene-5-thione is C17H21N3O2S.
What is the molecular weight of 3-(2,5-dimethoxyphenyl)-1,4,6-triazatricyclo[6.2.2.0~2,7~]dodec-2(7)-ene-5-thione?
The molecular weight of 3-(2,5-dimethoxyphenyl)-1,4,6-triazatricyclo[6.2.2.0~2,7~]dodec-2(7)-ene-5-thione is 331.14 g/mol.
Where can I buy 3-(2,5-dimethoxyphenyl)-1,4,6-triazatricyclo[6.2.2.0~2,7~]dodec-2(7)-ene-5-thione?
You can request a quote for 3-(2,5-dimethoxyphenyl)-1,4,6-triazatricyclo[6.2.2.0~2,7~]dodec-2(7)-ene-5-thione 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-dimethoxyphenyl)-1,4,6-triazatricyclo[6.2.2.0~2,7~]dodec-2(7)-ene-5-thione?
Yes, KEHONG BIO provides custom synthesis services for 3-(2,5-dimethoxyphenyl)-1,4,6-triazatricyclo[6.2.2.0~2,7~]dodec-2(7)-ene-5-thione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.