Butyrophenone, 4-(3-azaspiro(5.6)dodec-3-yl)-4'-fluoro-
TL;DR: Butyrophenone, 4-(3-azaspiro(5.6)dodec-3-yl)-4'-fluoro- (CAS 64-57-3) is a chemical compound with molecular formula C21H30FNO and molecular weight 331.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(3-azaspiro[5.6]dodecan-3-yl)-1-(4-fluorophenyl)butan-1-one
Also Known As: 5-20-04-00448 (Beilstein Handbook Reference), BUTYROPHENONE, 4-(3-AZASPIRO(5.6)DODEC-3-YL)-4'-FLUORO-, 4-(3-Azaspiro(5.6)dodec-3-yl)-4'-fluoro-butyrophenone, 4-(3-azaspiro[5.6]dodec-3-yl)-1-(4-fluorophenyl)butan-1-one, 4-(3-azaspiro[5.6]dodecan-3-yl)-1-(4-fluorophenyl)butan-1-one
| Molecular Formula | C21H30FNO |
|---|---|
| Molecular Weight | 331.23 g/mol |
| LogP | 5.7 |
| Topological Polar Surface Area | 20.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 331.23114 |
| Heavy Atoms | 24 |
| Complexity | 385.0 |
Chemical Identifiers
| CAS Number | 64-57-3 |
|---|---|
| SMILES | C1CCCC2(CC1)CCN(CC2)CCCC(=O)C3=CC=C(C=C3)F |
| InChIKey | OQGJEPJBGPMRBJ-UHFFFAOYSA-N |
Product Overview
Butyrophenone, 4-(3-azaspiro(5.6)dodec-3-yl)-4'-fluoro- (CAS 64-57-3), with molecular formula C21H30FNO and molecular weight 331.23 g/mol. IUPAC: 4-(3-azaspiro[5.6]dodecan-3-yl)-1-(4-fluorophenyl)butan-1-one.
Chemical Property Profile of Butyrophenone, 4-(3-azaspiro(5.6)dodec-3-yl)-4'-fluoro-
Property Insights of Butyrophenone, 4-(3-azaspiro(5.6)dodec-3-yl)-4'-fluoro-
The XLogP value of 5.7 indicates that Butyrophenone, 4-(3-azaspiro(5.6)dodec-3-yl)-4'-fluoro- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 20.3 Ų, Butyrophenone, 4-(3-azaspiro(5.6)dodec-3-yl)-4'-fluoro- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Butyrophenone, 4-(3-azaspiro(5.6)dodec-3-yl)-4'-fluoro- has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Butyrophenone, 4-(3-azaspiro(5.6)dodec-3-yl)-4'-fluoro-?
The CAS number of Butyrophenone, 4-(3-azaspiro(5.6)dodec-3-yl)-4'-fluoro- is 64-57-3.
What is the molecular formula of Butyrophenone, 4-(3-azaspiro(5.6)dodec-3-yl)-4'-fluoro-?
The molecular formula of Butyrophenone, 4-(3-azaspiro(5.6)dodec-3-yl)-4'-fluoro- is C21H30FNO.
What is the molecular weight of Butyrophenone, 4-(3-azaspiro(5.6)dodec-3-yl)-4'-fluoro-?
The molecular weight of Butyrophenone, 4-(3-azaspiro(5.6)dodec-3-yl)-4'-fluoro- is 331.23 g/mol.
Where can I buy Butyrophenone, 4-(3-azaspiro(5.6)dodec-3-yl)-4'-fluoro-?
You can request a quote for Butyrophenone, 4-(3-azaspiro(5.6)dodec-3-yl)-4'-fluoro- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Butyrophenone, 4-(3-azaspiro(5.6)dodec-3-yl)-4'-fluoro-?
Yes, KEHONG BIO provides custom synthesis services for Butyrophenone, 4-(3-azaspiro(5.6)dodec-3-yl)-4'-fluoro- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.