![3-(2-Pyrimidinyl)-7,12-dioxa-3-azaspiro[5.6]dodec-9-ene structure](/static/products/3390/339099-33-1.webp)
3-(2-Pyrimidinyl)-7,12-dioxa-3-azaspiro[5.6]dodec-9-ene
TL;DR: 3-(2-Pyrimidinyl)-7,12-dioxa-3-azaspiro[5.6]dodec-9-ene (CAS 339099-33-1) is a chemical compound with molecular formula C13H17N3O2 and molecular weight 247.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-pyrimidin-2-yl-7,12-dioxa-3-azaspiro[5.6]dodec-9-ene
Also Known As: 3-(2-pyrimidinyl)-7,12-dioxa-3-azaspiro[5.6]dodec-9-ene, 3-pyrimidin-2-yl-7,12-dioxa-3-azaspiro[5.6]dodec-9-ene, 3-(pyrimidin-2-yl)-7,12-dioxa-3-azaspiro[5.6]dodec-9-ene, 8H-952
| Molecular Formula | C13H17N3O2 |
|---|---|
| Molecular Weight | 247.13 g/mol |
| LogP | 1.3761 |
| Topological Polar Surface Area | 47.48 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 247.13208 |
| Heavy Atoms | 18 |
| Complexity | 401.50436 |
Chemical Identifiers
| CAS Number | 339099-33-1 |
|---|---|
| SMILES | C1CN(CCC12OCC=CCO2)C3=NC=CC=N3 |
Product Overview
3-(2-Pyrimidinyl)-7,12-dioxa-3-azaspiro[5.6]dodec-9-ene (CAS 339099-33-1), with molecular formula C13H17N3O2 and molecular weight 247.13 g/mol. IUPAC: 3-pyrimidin-2-yl-7,12-dioxa-3-azaspiro[5.6]dodec-9-ene.
Chemical Property Profile of 3-(2-Pyrimidinyl)-7,12-dioxa-3-azaspiro[5.6]dodec-9-ene
Property Insights of 3-(2-Pyrimidinyl)-7,12-dioxa-3-azaspiro[5.6]dodec-9-ene
The XLogP value of 1.3761 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(2-Pyrimidinyl)-7,12-dioxa-3-azaspiro[5.6]dodec-9-ene. With a topological polar surface area (TPSA) of 47.48 Ų, 3-(2-Pyrimidinyl)-7,12-dioxa-3-azaspiro[5.6]dodec-9-ene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(2-Pyrimidinyl)-7,12-dioxa-3-azaspiro[5.6]dodec-9-ene has 0 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 3-(2-Pyrimidinyl)-7,12-dioxa-3-azaspiro[5.6]dodec-9-ene?
The CAS number of 3-(2-Pyrimidinyl)-7,12-dioxa-3-azaspiro[5.6]dodec-9-ene is 339099-33-1.
What is the molecular formula of 3-(2-Pyrimidinyl)-7,12-dioxa-3-azaspiro[5.6]dodec-9-ene?
The molecular formula of 3-(2-Pyrimidinyl)-7,12-dioxa-3-azaspiro[5.6]dodec-9-ene is C13H17N3O2.
What is the molecular weight of 3-(2-Pyrimidinyl)-7,12-dioxa-3-azaspiro[5.6]dodec-9-ene?
The molecular weight of 3-(2-Pyrimidinyl)-7,12-dioxa-3-azaspiro[5.6]dodec-9-ene is 247.13 g/mol.
Where can I buy 3-(2-Pyrimidinyl)-7,12-dioxa-3-azaspiro[5.6]dodec-9-ene?
You can request a quote for 3-(2-Pyrimidinyl)-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-Pyrimidinyl)-7,12-dioxa-3-azaspiro[5.6]dodec-9-ene?
Yes, KEHONG BIO provides custom synthesis services for 3-(2-Pyrimidinyl)-7,12-dioxa-3-azaspiro[5.6]dodec-9-ene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.