![3-[2,6-Dinitro-4-(trifluoromethyl)phenyl]-7,12-dioxa-3-azaspiro[5.6]dodec-9-ene structure](/static/products/3390/339099-24-0.webp)
3-[2,6-Dinitro-4-(trifluoromethyl)phenyl]-7,12-dioxa-3-azaspiro[5.6]dodec-9-ene
TL;DR: 3-[2,6-Dinitro-4-(trifluoromethyl)phenyl]-7,12-dioxa-3-azaspiro[5.6]dodec-9-ene (CAS 339099-24-0) is a chemical compound with molecular formula C16H16F3N3O6 and molecular weight 403.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[2,6-dinitro-4-(trifluoromethyl)phenyl]-7,12-dioxa-3-azaspiro[5.6]dodec-9-ene
Also Known As: 3-[2,6-dinitro-4-(trifluoromethyl)phenyl]-7,12-dioxa-3-azaspiro[5.6]dodec-9-ene, 8H-949
| Molecular Formula | C16H16F3N3O6 |
|---|---|
| Molecular Weight | 403.10 g/mol |
| LogP | 3.4213 |
| Topological Polar Surface Area | 107.98 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 403.09912 |
| Heavy Atoms | 28 |
| Complexity | 771.3281 |
Chemical Identifiers
| CAS Number | 339099-24-0 |
|---|---|
| SMILES | C1CN(CCC12OCC=CCO2)C3=C(C=C(C=C3[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-] |
Product Overview
3-[2,6-Dinitro-4-(trifluoromethyl)phenyl]-7,12-dioxa-3-azaspiro[5.6]dodec-9-ene (CAS 339099-24-0), with molecular formula C16H16F3N3O6 and molecular weight 403.10 g/mol. IUPAC: 3-[2,6-dinitro-4-(trifluoromethyl)phenyl]-7,12-dioxa-3-azaspiro[5.6]dodec-9-ene.
Chemical Property Profile of 3-[2,6-Dinitro-4-(trifluoromethyl)phenyl]-7,12-dioxa-3-azaspiro[5.6]dodec-9-ene
Property Insights of 3-[2,6-Dinitro-4-(trifluoromethyl)phenyl]-7,12-dioxa-3-azaspiro[5.6]dodec-9-ene
The XLogP value of 3.4213 indicates that 3-[2,6-Dinitro-4-(trifluoromethyl)phenyl]-7,12-dioxa-3-azaspiro[5.6]dodec-9-ene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 107.98 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-[2,6-Dinitro-4-(trifluoromethyl)phenyl]-7,12-dioxa-3-azaspiro[5.6]dodec-9-ene. Following Lipinski's Rule of Five, 3-[2,6-Dinitro-4-(trifluoromethyl)phenyl]-7,12-dioxa-3-azaspiro[5.6]dodec-9-ene has 0 hydrogen bond donor(s) and 7 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-[2,6-Dinitro-4-(trifluoromethyl)phenyl]-7,12-dioxa-3-azaspiro[5.6]dodec-9-ene?
The CAS number of 3-[2,6-Dinitro-4-(trifluoromethyl)phenyl]-7,12-dioxa-3-azaspiro[5.6]dodec-9-ene is 339099-24-0.
What is the molecular formula of 3-[2,6-Dinitro-4-(trifluoromethyl)phenyl]-7,12-dioxa-3-azaspiro[5.6]dodec-9-ene?
The molecular formula of 3-[2,6-Dinitro-4-(trifluoromethyl)phenyl]-7,12-dioxa-3-azaspiro[5.6]dodec-9-ene is C16H16F3N3O6.
What is the molecular weight of 3-[2,6-Dinitro-4-(trifluoromethyl)phenyl]-7,12-dioxa-3-azaspiro[5.6]dodec-9-ene?
The molecular weight of 3-[2,6-Dinitro-4-(trifluoromethyl)phenyl]-7,12-dioxa-3-azaspiro[5.6]dodec-9-ene is 403.10 g/mol.
Where can I buy 3-[2,6-Dinitro-4-(trifluoromethyl)phenyl]-7,12-dioxa-3-azaspiro[5.6]dodec-9-ene?
You can request a quote for 3-[2,6-Dinitro-4-(trifluoromethyl)phenyl]-7,12-dioxa-3-azaspiro[5.6]dodec-9-ene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-[2,6-Dinitro-4-(trifluoromethyl)phenyl]-7,12-dioxa-3-azaspiro[5.6]dodec-9-ene?
Yes, KEHONG BIO provides custom synthesis services for 3-[2,6-Dinitro-4-(trifluoromethyl)phenyl]-7,12-dioxa-3-azaspiro[5.6]dodec-9-ene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.