1-Butanone, 4-(3-azaspiro(5.5)undec-3-yl)-1-(4-fluorophenyl)-
TL;DR: 1-Butanone, 4-(3-azaspiro(5.5)undec-3-yl)-1-(4-fluorophenyl)- (CAS 1997-30-4) 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-(3-azaspiro[5.5]undecan-3-yl)-1-(4-fluorophenyl)butan-1-one
Also Known As: 1-Butanone, 4-(3-azaspiro(5.5)undec-3-yl)-1-(4-fluorophenyl)-, R-4006, 4-(9-azaspiro[5.5]undecan-9-yl)-1-(4-fluorophenyl)butan-1-one, Butyrophenone, 4-(3-azaspiro[5.5]undec-3-yl)-4'-fluoro-, 1-Butanone, 4-(3-azaspiro[5.5]undec-3-yl)-1-(4-fluorophenyl)-
| Molecular Formula | C20H28FNO |
|---|---|
| Molecular Weight | 317.22 g/mol |
| LogP | 5.1 |
| 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 | 373.0 |
Chemical Identifiers
| CAS Number | 1997-30-4 |
|---|---|
| SMILES | C1CCC2(CC1)CCN(CC2)CCCC(=O)C3=CC=C(C=C3)F |
| InChIKey | HTYMBWFCAKHGOC-UHFFFAOYSA-N |
Product Overview
1-Butanone, 4-(3-azaspiro(5.5)undec-3-yl)-1-(4-fluorophenyl)- (CAS 1997-30-4), with molecular formula C20H28FNO and molecular weight 317.22 g/mol. IUPAC: 4-(3-azaspiro[5.5]undecan-3-yl)-1-(4-fluorophenyl)butan-1-one.
Chemical Property Profile of 1-Butanone, 4-(3-azaspiro(5.5)undec-3-yl)-1-(4-fluorophenyl)-
Property Insights of 1-Butanone, 4-(3-azaspiro(5.5)undec-3-yl)-1-(4-fluorophenyl)-
The XLogP value of 5.1 indicates that 1-Butanone, 4-(3-azaspiro(5.5)undec-3-yl)-1-(4-fluorophenyl)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 20.3 Ų, 1-Butanone, 4-(3-azaspiro(5.5)undec-3-yl)-1-(4-fluorophenyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Butanone, 4-(3-azaspiro(5.5)undec-3-yl)-1-(4-fluorophenyl)- 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 1-Butanone, 4-(3-azaspiro(5.5)undec-3-yl)-1-(4-fluorophenyl)-?
The CAS number of 1-Butanone, 4-(3-azaspiro(5.5)undec-3-yl)-1-(4-fluorophenyl)- is 1997-30-4.
What is the molecular formula of 1-Butanone, 4-(3-azaspiro(5.5)undec-3-yl)-1-(4-fluorophenyl)-?
The molecular formula of 1-Butanone, 4-(3-azaspiro(5.5)undec-3-yl)-1-(4-fluorophenyl)- is C20H28FNO.
What is the molecular weight of 1-Butanone, 4-(3-azaspiro(5.5)undec-3-yl)-1-(4-fluorophenyl)-?
The molecular weight of 1-Butanone, 4-(3-azaspiro(5.5)undec-3-yl)-1-(4-fluorophenyl)- is 317.22 g/mol.
Where can I buy 1-Butanone, 4-(3-azaspiro(5.5)undec-3-yl)-1-(4-fluorophenyl)-?
You can request a quote for 1-Butanone, 4-(3-azaspiro(5.5)undec-3-yl)-1-(4-fluorophenyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Butanone, 4-(3-azaspiro(5.5)undec-3-yl)-1-(4-fluorophenyl)-?
Yes, KEHONG BIO provides custom synthesis services for 1-Butanone, 4-(3-azaspiro(5.5)undec-3-yl)-1-(4-fluorophenyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.