![11-(4-bromophenyl)-8,8-dimethyl-2,6-dithia-4,11-diazatricyclo[7.3.0.0^{3,7}]dodec-3(7)-ene-5,10,12-trione structure](/static/products/853/853902-00-8.png)
11-(4-bromophenyl)-8,8-dimethyl-2,6-dithia-4,11-diazatricyclo[7.3.0.0^{3,7}]dodec-3(7)-ene-5,10,12-trione
TL;DR: 11-(4-bromophenyl)-8,8-dimethyl-2,6-dithia-4,11-diazatricyclo[7.3.0.0^{3,7}]dodec-3(7)-ene-5,10,12-trione (CAS 853902-00-8) is a chemical compound with molecular formula C16H13BrN2O3S2 and molecular weight 423.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
11-(4-bromophenyl)-8,8-dimethyl-2,6-dithia-4,11-diazatricyclo[7.3.0.03,7]dodec-3(7)-ene-5,10,12-trione
Also Known As: 11-(4-bromophenyl)-8,8-dimethyl-2,6-dithia-4,11-diazatricyclo[7.3.0.0^{3,7}]dodec-3(7)-ene-5,10,12-trione, 5-(4-bromophenyl)-2,2-dimethyl-8,12-dithia-5,10-diazatricyclo[7.3.0.0<3,7>]dod ec-1(9)-ene-4,6,11-trione
| Molecular Formula | C16H13BrN2O3S2 |
|---|---|
| Molecular Weight | 423.96 g/mol |
| LogP | 3.1404 |
| Topological Polar Surface Area | 70.24 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 423.9551 |
| Heavy Atoms | 24 |
| Complexity | 916.1489 |
Chemical Identifiers
| CAS Number | 853902-00-8 |
|---|---|
| SMILES | CC1(C2C(C(=O)N(C2=O)C3=CC=C(C=C3)Br)SC4=C1SC(=O)N4)C |
Product Overview
11-(4-bromophenyl)-8,8-dimethyl-2,6-dithia-4,11-diazatricyclo[7.3.0.0^{3,7}]dodec-3(7)-ene-5,10,12-trione (CAS 853902-00-8), with molecular formula C16H13BrN2O3S2 and molecular weight 423.96 g/mol. IUPAC: 11-(4-bromophenyl)-8,8-dimethyl-2,6-dithia-4,11-diazatricyclo[7.3.0.03,7]dodec-3(7)-ene-5,10,12-trione.
Chemical Property Profile of 11-(4-bromophenyl)-8,8-dimethyl-2,6-dithia-4,11-diazatricyclo[7.3.0.0^{3,7}]dodec-3(7)-ene-5,10,12-trione
Property Insights of 11-(4-bromophenyl)-8,8-dimethyl-2,6-dithia-4,11-diazatricyclo[7.3.0.0^{3,7}]dodec-3(7)-ene-5,10,12-trione
The XLogP value of 3.1404 indicates that 11-(4-bromophenyl)-8,8-dimethyl-2,6-dithia-4,11-diazatricyclo[7.3.0.0^{3,7}]dodec-3(7)-ene-5,10,12-trione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 70.24 Ų falls within the moderate polarity range, balancing permeability and solubility for 11-(4-bromophenyl)-8,8-dimethyl-2,6-dithia-4,11-diazatricyclo[7.3.0.0^{3,7}]dodec-3(7)-ene-5,10,12-trione. Following Lipinski's Rule of Five, 11-(4-bromophenyl)-8,8-dimethyl-2,6-dithia-4,11-diazatricyclo[7.3.0.0^{3,7}]dodec-3(7)-ene-5,10,12-trione has 1 hydrogen bond donor(s) and 5 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 11-(4-bromophenyl)-8,8-dimethyl-2,6-dithia-4,11-diazatricyclo[7.3.0.0^{3,7}]dodec-3(7)-ene-5,10,12-trione?
The CAS number of 11-(4-bromophenyl)-8,8-dimethyl-2,6-dithia-4,11-diazatricyclo[7.3.0.0^{3,7}]dodec-3(7)-ene-5,10,12-trione is 853902-00-8.
What is the molecular formula of 11-(4-bromophenyl)-8,8-dimethyl-2,6-dithia-4,11-diazatricyclo[7.3.0.0^{3,7}]dodec-3(7)-ene-5,10,12-trione?
The molecular formula of 11-(4-bromophenyl)-8,8-dimethyl-2,6-dithia-4,11-diazatricyclo[7.3.0.0^{3,7}]dodec-3(7)-ene-5,10,12-trione is C16H13BrN2O3S2.
What is the molecular weight of 11-(4-bromophenyl)-8,8-dimethyl-2,6-dithia-4,11-diazatricyclo[7.3.0.0^{3,7}]dodec-3(7)-ene-5,10,12-trione?
The molecular weight of 11-(4-bromophenyl)-8,8-dimethyl-2,6-dithia-4,11-diazatricyclo[7.3.0.0^{3,7}]dodec-3(7)-ene-5,10,12-trione is 423.96 g/mol.
Where can I buy 11-(4-bromophenyl)-8,8-dimethyl-2,6-dithia-4,11-diazatricyclo[7.3.0.0^{3,7}]dodec-3(7)-ene-5,10,12-trione?
You can request a quote for 11-(4-bromophenyl)-8,8-dimethyl-2,6-dithia-4,11-diazatricyclo[7.3.0.0^{3,7}]dodec-3(7)-ene-5,10,12-trione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 11-(4-bromophenyl)-8,8-dimethyl-2,6-dithia-4,11-diazatricyclo[7.3.0.0^{3,7}]dodec-3(7)-ene-5,10,12-trione?
Yes, KEHONG BIO provides custom synthesis services for 11-(4-bromophenyl)-8,8-dimethyl-2,6-dithia-4,11-diazatricyclo[7.3.0.0^{3,7}]dodec-3(7)-ene-5,10,12-trione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.