![2-{[(2-Methyl-1,3-benzoxazol-6-yl)amino]methylene}malononitrile structure](/static/products/1884/188477-81-8.webp)
2-{[(2-Methyl-1,3-benzoxazol-6-yl)amino]methylene}malononitrile
TL;DR: 2-{[(2-Methyl-1,3-benzoxazol-6-yl)amino]methylene}malononitrile (CAS 188477-81-8) is a chemical compound with molecular formula C12H8N4O and molecular weight 224.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[(2-methyl-1,3-benzoxazol-6-yl)amino]methylidene]propanedinitrile
Also Known As: 2-{[(2-methyl-1,3-benzoxazol-6-yl)amino]methylene}malononitrile, 2-{[(2-methyl-1,3-benzoxazol-6-yl)amino]methylidene}propanedinitrile, 2-[[(2-methyl-1,3-benzoxazol-6-yl)amino]methylidene]propanedinitrile, 2W-0893, 2-[[(2-methyl-1,3-benzoxazol-6-yl)amino]methylene]propanedinitrile
| Molecular Formula | C12H8N4O |
|---|---|
| Molecular Weight | 224.07 g/mol |
| LogP | 2.47918 |
| Topological Polar Surface Area | 85.64 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 224.06981 |
| Heavy Atoms | 17 |
| Complexity | 653.85095 |
Chemical Identifiers
| CAS Number | 188477-81-8 |
|---|---|
| SMILES | CC1=NC2=C(O1)C=C(C=C2)NC=C(C#N)C#N |
Product Overview
2-{[(2-Methyl-1,3-benzoxazol-6-yl)amino]methylene}malononitrile (CAS 188477-81-8), with molecular formula C12H8N4O and molecular weight 224.07 g/mol. IUPAC: 2-[[(2-methyl-1,3-benzoxazol-6-yl)amino]methylidene]propanedinitrile.
Chemical Property Profile of 2-{[(2-Methyl-1,3-benzoxazol-6-yl)amino]methylene}malononitrile
Property Insights of 2-{[(2-Methyl-1,3-benzoxazol-6-yl)amino]methylene}malononitrile
The XLogP value of 2.47918 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-{[(2-Methyl-1,3-benzoxazol-6-yl)amino]methylene}malononitrile. The TPSA of 85.64 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-{[(2-Methyl-1,3-benzoxazol-6-yl)amino]methylene}malononitrile. Following Lipinski's Rule of Five, 2-{[(2-Methyl-1,3-benzoxazol-6-yl)amino]methylene}malononitrile 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 2-{[(2-Methyl-1,3-benzoxazol-6-yl)amino]methylene}malononitrile?
The CAS number of 2-{[(2-Methyl-1,3-benzoxazol-6-yl)amino]methylene}malononitrile is 188477-81-8.
What is the molecular formula of 2-{[(2-Methyl-1,3-benzoxazol-6-yl)amino]methylene}malononitrile?
The molecular formula of 2-{[(2-Methyl-1,3-benzoxazol-6-yl)amino]methylene}malononitrile is C12H8N4O.
What is the molecular weight of 2-{[(2-Methyl-1,3-benzoxazol-6-yl)amino]methylene}malononitrile?
The molecular weight of 2-{[(2-Methyl-1,3-benzoxazol-6-yl)amino]methylene}malononitrile is 224.07 g/mol.
Where can I buy 2-{[(2-Methyl-1,3-benzoxazol-6-yl)amino]methylene}malononitrile?
You can request a quote for 2-{[(2-Methyl-1,3-benzoxazol-6-yl)amino]methylene}malononitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-{[(2-Methyl-1,3-benzoxazol-6-yl)amino]methylene}malononitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-{[(2-Methyl-1,3-benzoxazol-6-yl)amino]methylene}malononitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.