![3-(2,4-Dichlorophenyl)-1,4,6-triazatricyclo[6.2.2.0~2,7~]dodec-2(7)-ene-5-thione structure](/static/products/3318/331839-38-4.webp)
3-(2,4-Dichlorophenyl)-1,4,6-triazatricyclo[6.2.2.0~2,7~]dodec-2(7)-ene-5-thione
TL;DR: 3-(2,4-Dichlorophenyl)-1,4,6-triazatricyclo[6.2.2.0~2,7~]dodec-2(7)-ene-5-thione (CAS 331839-38-4) is a chemical compound with molecular formula C15H15Cl2N3S and molecular weight 339.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(2,4-dichlorophenyl)-1,4,6-triazatricyclo[6.2.2.02,7]dodec-2(7)-ene-5-thione
Also Known As: BAS 00615710, 3-(2,4-dichlorophenyl)-1,4,6-triazatricyclo[6.2.2.0~2,7~]dodec-2(7)-ene-5-thione, BIM-0019283.P001, 3-(2,4-dichlorophenyl)-1,4,6-triazatricyclo[6.2.2.0^{2,7}]dodec-2(7)-ene-5-thione, 7X-0254
| Molecular Formula | C15H15Cl2N3S |
|---|---|
| Molecular Weight | 339.04 g/mol |
| LogP | 3.4494 |
| Topological Polar Surface Area | 27.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 339.03638 |
| Heavy Atoms | 21 |
| Complexity | 650.31885 |
Chemical Identifiers
| CAS Number | 331839-38-4 |
|---|---|
| SMILES | C1CN2CCC1C3=C2C(NC(=S)N3)C4=C(C=C(C=C4)Cl)Cl |
Product Overview
3-(2,4-Dichlorophenyl)-1,4,6-triazatricyclo[6.2.2.0~2,7~]dodec-2(7)-ene-5-thione (CAS 331839-38-4), with molecular formula C15H15Cl2N3S and molecular weight 339.04 g/mol. IUPAC: 3-(2,4-dichlorophenyl)-1,4,6-triazatricyclo[6.2.2.02,7]dodec-2(7)-ene-5-thione.
Chemical Property Profile of 3-(2,4-Dichlorophenyl)-1,4,6-triazatricyclo[6.2.2.0~2,7~]dodec-2(7)-ene-5-thione
Property Insights of 3-(2,4-Dichlorophenyl)-1,4,6-triazatricyclo[6.2.2.0~2,7~]dodec-2(7)-ene-5-thione
The XLogP value of 3.4494 indicates that 3-(2,4-Dichlorophenyl)-1,4,6-triazatricyclo[6.2.2.0~2,7~]dodec-2(7)-ene-5-thione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 27.3 Ų, 3-(2,4-Dichlorophenyl)-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-(2,4-Dichlorophenyl)-1,4,6-triazatricyclo[6.2.2.0~2,7~]dodec-2(7)-ene-5-thione has 2 hydrogen bond donor(s) and 2 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-(2,4-Dichlorophenyl)-1,4,6-triazatricyclo[6.2.2.0~2,7~]dodec-2(7)-ene-5-thione?
The CAS number of 3-(2,4-Dichlorophenyl)-1,4,6-triazatricyclo[6.2.2.0~2,7~]dodec-2(7)-ene-5-thione is 331839-38-4.
What is the molecular formula of 3-(2,4-Dichlorophenyl)-1,4,6-triazatricyclo[6.2.2.0~2,7~]dodec-2(7)-ene-5-thione?
The molecular formula of 3-(2,4-Dichlorophenyl)-1,4,6-triazatricyclo[6.2.2.0~2,7~]dodec-2(7)-ene-5-thione is C15H15Cl2N3S.
What is the molecular weight of 3-(2,4-Dichlorophenyl)-1,4,6-triazatricyclo[6.2.2.0~2,7~]dodec-2(7)-ene-5-thione?
The molecular weight of 3-(2,4-Dichlorophenyl)-1,4,6-triazatricyclo[6.2.2.0~2,7~]dodec-2(7)-ene-5-thione is 339.04 g/mol.
Where can I buy 3-(2,4-Dichlorophenyl)-1,4,6-triazatricyclo[6.2.2.0~2,7~]dodec-2(7)-ene-5-thione?
You can request a quote for 3-(2,4-Dichlorophenyl)-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-(2,4-Dichlorophenyl)-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-(2,4-Dichlorophenyl)-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.