Butyrophenone, 4-(2-azaspiro(4.6)undec-2-yl)-4'-fluoro-
TL;DR: Butyrophenone, 4-(2-azaspiro(4.6)undec-2-yl)-4'-fluoro- (CAS 1235-67-2) is a chemical compound with molecular formula C20H28FNO and molecular weight 317.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(2-azaspiro[4.6]undecan-2-yl)-1-(4-fluorophenyl)butan-1-one
Also Known As: BUTYROPHENONE, 4-(2-AZASPIRO(4.6)UNDEC-2-YL)-4'-FLUORO-, 4-(2-Azaspiro(4.6)undec-2-yl)-4'-fluoro-butyrophenone, omega-(2-Azaspiro[4.6]undec-2-yl)-4 -fluorobutyrophenone, 4-(2-azaspiro[4.6]undecan-2-yl)-1-(4-fluorophenyl)butan-1-one, 4-(3-azaspiro[4.6]undecan-3-yl)-1-(4-fluorophenyl)butan-1-one
| Molecular Formula | C20H28FNO |
|---|---|
| Molecular Weight | 317.22 g/mol |
| LogP | 4.9 |
| Topological Polar Surface Area | 20.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 317.21548 |
| Heavy Atoms | 23 |
| Complexity | 381.0 |
Chemical Identifiers
| CAS Number | 1235-67-2 |
|---|---|
| SMILES | C1CCCC2(CC1)CCN(C2)CCCC(=O)C3=CC=C(C=C3)F |
| InChIKey | LNFNMWXLVHXWAL-UHFFFAOYSA-N |
Product Overview
Butyrophenone, 4-(2-azaspiro(4.6)undec-2-yl)-4'-fluoro- (CAS 1235-67-2), with molecular formula C20H28FNO and molecular weight 317.22 g/mol. IUPAC: 4-(2-azaspiro[4.6]undecan-2-yl)-1-(4-fluorophenyl)butan-1-one.
Chemical Property Profile of Butyrophenone, 4-(2-azaspiro(4.6)undec-2-yl)-4'-fluoro-
Property Insights of Butyrophenone, 4-(2-azaspiro(4.6)undec-2-yl)-4'-fluoro-
The XLogP value of 4.9 indicates that Butyrophenone, 4-(2-azaspiro(4.6)undec-2-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-(2-azaspiro(4.6)undec-2-yl)-4'-fluoro- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Butyrophenone, 4-(2-azaspiro(4.6)undec-2-yl)-4'-fluoro- has 0 hydrogen bond donor(s) and 3 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 Butyrophenone, 4-(2-azaspiro(4.6)undec-2-yl)-4'-fluoro-?
The CAS number of Butyrophenone, 4-(2-azaspiro(4.6)undec-2-yl)-4'-fluoro- is 1235-67-2.
What is the molecular formula of Butyrophenone, 4-(2-azaspiro(4.6)undec-2-yl)-4'-fluoro-?
The molecular formula of Butyrophenone, 4-(2-azaspiro(4.6)undec-2-yl)-4'-fluoro- is C20H28FNO.
What is the molecular weight of Butyrophenone, 4-(2-azaspiro(4.6)undec-2-yl)-4'-fluoro-?
The molecular weight of Butyrophenone, 4-(2-azaspiro(4.6)undec-2-yl)-4'-fluoro- is 317.22 g/mol.
Where can I buy Butyrophenone, 4-(2-azaspiro(4.6)undec-2-yl)-4'-fluoro-?
You can request a quote for Butyrophenone, 4-(2-azaspiro(4.6)undec-2-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-(2-azaspiro(4.6)undec-2-yl)-4'-fluoro-?
Yes, KEHONG BIO provides custom synthesis services for Butyrophenone, 4-(2-azaspiro(4.6)undec-2-yl)-4'-fluoro- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.