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4-Imidazo[1,2-a]pyrimidin-2-ylbenzonitrile
TL;DR: 4-Imidazo[1,2-a]pyrimidin-2-ylbenzonitrile (CAS 104691-51-2) is a chemical compound with molecular formula C13H8N4 and molecular weight 220.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-imidazo[1,2-a]pyrimidin-2-ylbenzonitrile
Also Known As: 4-imidazo[1,2-a]pyrimidin-2-ylbenzonitrile, Maybridge3_002162, 4-Imidazo[1,2-a]pyrimidin-2-yl-benzonitrile, 4-(Imidazo[1,2-a]pyrimidin-2-yl)benzonitrile, 3,4-DIMETHYLDIPHENYLETHER
| Molecular Formula | C13H8N4 |
|---|---|
| Molecular Weight | 220.07 g/mol |
| LogP | 2.26798 |
| Topological Polar Surface Area | 53.98 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 220.07489 |
| Heavy Atoms | 17 |
| Complexity | 671.11273 |
Chemical Identifiers
| CAS Number | 104691-51-2 |
|---|---|
| SMILES | C1=CN2C=C(N=C2N=C1)C3=CC=C(C=C3)C#N |
Product Overview
4-Imidazo[1,2-a]pyrimidin-2-ylbenzonitrile (CAS 104691-51-2), with molecular formula C13H8N4 and molecular weight 220.07 g/mol. IUPAC: 4-imidazo[1,2-a]pyrimidin-2-ylbenzonitrile.
Chemical Property Profile of 4-Imidazo[1,2-a]pyrimidin-2-ylbenzonitrile
Property Insights of 4-Imidazo[1,2-a]pyrimidin-2-ylbenzonitrile
The XLogP value of 2.26798 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Imidazo[1,2-a]pyrimidin-2-ylbenzonitrile. With a topological polar surface area (TPSA) of 53.98 Ų, 4-Imidazo[1,2-a]pyrimidin-2-ylbenzonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Imidazo[1,2-a]pyrimidin-2-ylbenzonitrile 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 4-Imidazo[1,2-a]pyrimidin-2-ylbenzonitrile?
The CAS number of 4-Imidazo[1,2-a]pyrimidin-2-ylbenzonitrile is 104691-51-2.
What is the molecular formula of 4-Imidazo[1,2-a]pyrimidin-2-ylbenzonitrile?
The molecular formula of 4-Imidazo[1,2-a]pyrimidin-2-ylbenzonitrile is C13H8N4.
What is the molecular weight of 4-Imidazo[1,2-a]pyrimidin-2-ylbenzonitrile?
The molecular weight of 4-Imidazo[1,2-a]pyrimidin-2-ylbenzonitrile is 220.07 g/mol.
Where can I buy 4-Imidazo[1,2-a]pyrimidin-2-ylbenzonitrile?
You can request a quote for 4-Imidazo[1,2-a]pyrimidin-2-ylbenzonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Imidazo[1,2-a]pyrimidin-2-ylbenzonitrile?
Yes, KEHONG BIO provides custom synthesis services for 4-Imidazo[1,2-a]pyrimidin-2-ylbenzonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.