11C-KR31173
TL;DR: 11C-KR31173 (CAS 844838-69-3) is a chemical compound with molecular formula C31H30N8O2 and molecular weight 545.26 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-butyl-5-((111C)methoxymethyl)-6-(1-oxidopyridin-1-ium-2-yl)-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazo[4,5-b]pyridine
Also Known As: 11C-KR31173, KR-31173 C-11, [11C]KR31173, 2-Butyl-5-(11C)methoxymethyl-6-(1-oxopyridin-2-yl)-3-((2-(1H-tetrazol-5-yl)biphenyl-4-yl)methyl)-3H-imidazo(4,5-b)pyridine, 3H-Imidazo(4,5-b)pyridine, 2-butyl-5-(methoxy-11C-methyl)-6-(1-oxido-2-pyridinyl)-3-((2'-(1H-tetrazol-5-yl)(1,1'-biphenyl)-4-yl)methyl)-
| Molecular Formula | C31H30N8O2 |
|---|---|
| Molecular Weight | 545.26 g/mol |
| LogP | 5.1161 |
| Topological Polar Surface Area | 121.34 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 10 |
| Exact Mass | 545.2606 |
| Heavy Atoms | 41 |
| Complexity | 1778.8599 |
Chemical Identifiers
| CAS Number | 844838-69-3 |
|---|---|
| SMILES | CCCCC1=NC2=C(N1CC3=CC=C(C=C3)C4=CC=CC=C4C5=NNN=N5)N=C(C(=C2)C6=CC=CC=[N+]6[O-])CO[11CH3] |
Product Overview
11C-KR31173 (CAS 844838-69-3), with molecular formula C31H30N8O2 and molecular weight 545.26 g/mol. IUPAC: 2-butyl-5-((111C)methoxymethyl)-6-(1-oxidopyridin-1-ium-2-yl)-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazo[4,5-b]pyridine.
Chemical Property Profile of 11C-KR31173
Property Insights of 11C-KR31173
The XLogP value of 5.1161 indicates that 11C-KR31173 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 121.34 Ų falls within the moderate polarity range, balancing permeability and solubility for 11C-KR31173. Following Lipinski's Rule of Five, 11C-KR31173 has 1 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 11C-KR31173?
The CAS number of 11C-KR31173 is 844838-69-3.
What is the molecular formula of 11C-KR31173?
The molecular formula of 11C-KR31173 is C31H30N8O2.
What is the molecular weight of 11C-KR31173?
The molecular weight of 11C-KR31173 is 545.26 g/mol.
Where can I buy 11C-KR31173?
You can request a quote for 11C-KR31173 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 11C-KR31173?
Yes, KEHONG BIO provides custom synthesis services for 11C-KR31173 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.