5-amino-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-1H-imidazole-4-carbonitrile
TL;DR: 5-amino-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-1H-imidazole-4-carbonitrile (CAS 672952-03-3) is a chemical compound with molecular formula C12H10N4O2 and molecular weight 242.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-amino-1-(2,3-dihydro-1,4-benzodioxin-6-yl)imidazole-4-carbonitrile
Also Known As: 5-amino-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-1H-imidazole-4-carbonitrile, 6P-037, 5-amino-1-(2,3-dihydro-1,4-benzodioxin-6-yl)imidazole-4-carbonitrile, 5-Amino-1-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)-1H-imidazole-4-carbonitrile, 5-amino-1-(7,10-dioxabicyclo[4.4.0]deca-2,4,11-trien-3-yl)imidazole-4-carbonitrile
| Molecular Formula | C12H10N4O2 |
|---|---|
| Molecular Weight | 242.08 g/mol |
| LogP | 1.09738 |
| Topological Polar Surface Area | 86.09 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 242.08037 |
| Heavy Atoms | 18 |
| Complexity | 642.0123 |
Chemical Identifiers
| CAS Number | 672952-03-3 |
|---|---|
| SMILES | C1COC2=C(O1)C=CC(=C2)N3C=NC(=C3N)C#N |
Product Overview
5-amino-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-1H-imidazole-4-carbonitrile (CAS 672952-03-3), with molecular formula C12H10N4O2 and molecular weight 242.08 g/mol. IUPAC: 5-amino-1-(2,3-dihydro-1,4-benzodioxin-6-yl)imidazole-4-carbonitrile.
Chemical Property Profile of 5-amino-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-1H-imidazole-4-carbonitrile
Property Insights of 5-amino-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-1H-imidazole-4-carbonitrile
The XLogP value of 1.09738 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-amino-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-1H-imidazole-4-carbonitrile. The TPSA of 86.09 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-amino-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-1H-imidazole-4-carbonitrile. Following Lipinski's Rule of Five, 5-amino-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-1H-imidazole-4-carbonitrile has 1 hydrogen bond donor(s) and 5 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 5-amino-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-1H-imidazole-4-carbonitrile?
The CAS number of 5-amino-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-1H-imidazole-4-carbonitrile is 672952-03-3.
What is the molecular formula of 5-amino-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-1H-imidazole-4-carbonitrile?
The molecular formula of 5-amino-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-1H-imidazole-4-carbonitrile is C12H10N4O2.
What is the molecular weight of 5-amino-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-1H-imidazole-4-carbonitrile?
The molecular weight of 5-amino-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-1H-imidazole-4-carbonitrile is 242.08 g/mol.
Where can I buy 5-amino-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-1H-imidazole-4-carbonitrile?
You can request a quote for 5-amino-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-1H-imidazole-4-carbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-amino-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-1H-imidazole-4-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 5-amino-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-1H-imidazole-4-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.