(18F)Spa-RQ
TL;DR: (18F)Spa-RQ (CAS 262598-99-2) is a chemical compound with molecular formula C21H22F4N6O and molecular weight 449.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S,3S)-N-[[2-((18F)fluoromethoxy)-5-[5-(trifluoromethyl)tetrazol-1-yl]phenyl]methyl]-2-phenylpiperidin-3-amine
Also Known As: [18F]SPA-RQ|(18F)SPA-RQ|SPA-RQ F-18|(18F)-SPA-RQ|[18F]-SPA-RQ|L-829165 F-18|GTPL3473|Substance P antagonist receptor quantifier F-18|(18F)-L-829165|[18F]Substance-P antagonist-receptor quantifier|[18F]L-829|J2.405.980D|(18F)-(2-fluoromethoxy-5-(5-trifluoromethyltetrazol-1-yl)benzyl)(2-phenylpiperidin-3-yl)amine|(2-(18F)Fluoromethoxy-5-(5-trifluoromethyl-tetrazol-1-yl)-benzyl)((2S,3S)2-phenyl-piperidin-3-yl)-amine|(2S,3S)-N-(2-((fluoro-18F)methoxy)-5-(5-(trifluoromethyl)-1H-tetrazol-1-yl)benzyl)-2-phenylpiperidin-3-amine|(2S,3S)-N-[[2-((18F)fluoranylmethoxy)-5-[5-(trifluoromethyl)tetrazol-1-yl]phenyl]methyl]-2-phenylpiperidin-3-amine|(2S,3S)-N-[[2-(fluoranylmethoxy)-5-[5-(trifluoromethyl)tetrazol-1-yl]phenyl]methyl]-2-phenylpiperidin-3-amine|(2S,3S)-3-[2-[(18F)Fluoromethoxy]-5-[5-(trifluoromethyl)-1H-tetrazole-1-yl]benzylamino]-2-phenylpiperidine|(2S,3S)-N-((2-(fluoranylmethoxy)-5-(5-(trifluoromethyl)tetrazol-1-yl)phenyl)methyl)-2-phenylpiperidin-3-amine|(2S,3S)-N-({2-[(18F)fluoromethoxy]-5-[5-(trifluoromethyl)-1H-1,2,3,4-tetrazol-1-yl]phenyl}methyl)-2-phenylpiperidin-3-amine|[2-[18F]Fluoromethoxy-5-(5-trifluoromethyl-tetrazol-1-yl)benzyl]-([2S,3S]2-phenyl-piperidin-3-yl)-amine
| Molecular Formula | C21H22F4N6O |
|---|---|
| Molecular Weight | 449.18 g/mol |
| LogP | 3.5698 |
| Topological Polar Surface Area | 76.89 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 449.18167 |
| Heavy Atoms | 32 |
| Complexity | 1026.6294 |
Chemical Identifiers
| CAS Number | 262598-99-2 |
|---|---|
| SMILES | C1C[C@@H]([C@@H](NC1)C2=CC=CC=C2)NCC3=C(C=CC(=C3)N4C(=NN=N4)C(F)(F)F)OC[18F] |
Product Overview
(18F)Spa-RQ (CAS 262598-99-2), with molecular formula C21H22F4N6O and molecular weight 449.18 g/mol. IUPAC: (2S,3S)-N-[[2-((18F)fluoromethoxy)-5-[5-(trifluoromethyl)tetrazol-1-yl]phenyl]methyl]-2-phenylpiperidin-3-amine.
Chemical Property Profile of (18F)Spa-RQ
Property Insights of (18F)Spa-RQ
The XLogP value of 3.5698 indicates that (18F)Spa-RQ is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 76.89 Ų falls within the moderate polarity range, balancing permeability and solubility for (18F)Spa-RQ. Following Lipinski's Rule of Five, (18F)Spa-RQ has 2 hydrogen bond donor(s) and 6 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 (18F)Spa-RQ?
The CAS number of (18F)Spa-RQ is 262598-99-2.
What is the molecular formula of (18F)Spa-RQ?
The molecular formula of (18F)Spa-RQ is C21H22F4N6O.
What is the molecular weight of (18F)Spa-RQ?
The molecular weight of (18F)Spa-RQ is 449.18 g/mol.
Where can I buy (18F)Spa-RQ?
You can request a quote for (18F)Spa-RQ directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (18F)Spa-RQ?
Yes, KEHONG BIO provides custom synthesis services for (18F)Spa-RQ and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.