![methyl-(3-methylbut-2-enyl)-oxo-[?]carbonitrile structure](/static/products/2578/257891-52-4.webp)
methyl-(3-methylbut-2-enyl)-oxo-[?]carbonitrile
TL;DR: methyl-(3-methylbut-2-enyl)-oxo-[?]carbonitrile (CAS 257891-52-4) is a chemical compound with molecular formula C17H20N4O and molecular weight 296.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
11-methyl-10-(3-methylbut-2-enyl)-2-oxo-1,3,10-triazatricyclo[6.4.1.04,13]trideca-4(13),5,7-triene-7-carbonitrile
Also Known As: methyl-(3-methylbut-2-enyl)-oxo-[?]carbonitrile, Imidazo(4,5,1-jk)(1,4)benzodiazepine-8-carbonitrile, 1,2,4,5,6,7-hexahydro-5-methyl-6-(3-methyl-2-butenyl)-2-oxo-, 5-Methyl-6-(3-methylbut-2-en-1-yl)-2-oxo-1,2,4,5,6,7-hexahydroimidazo[4,5,1-jk][1,4]benzodiazepine-8-carbonitrile, Imidazo(4,5,1-jk)(1,4)benzodiazepin-2(1H)-one,6-(cyclopropylmethyl)-8-(dimethylamino)-4,5,6,7-tetrahydro-5-methyl, Imidazo[4,5,1-jk][1,4]benzodiazepine-8-carbonitrile, 1,2,4,5,6,7-hexahydro-5-methyl-6-(3-methyl-2-butenyl)-2-oxo-
| Molecular Formula | C17H20N4O |
|---|---|
| Molecular Weight | 296.16 g/mol |
| LogP | 2.37158 |
| Topological Polar Surface Area | 64.82 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 296.1637 |
| Heavy Atoms | 22 |
| Complexity | 845.8917 |
Chemical Identifiers
| CAS Number | 257891-52-4 |
|---|---|
| SMILES | CC1CN2C3=C(C=CC(=C3CN1CC=C(C)C)C#N)NC2=O |
Product Overview
methyl-(3-methylbut-2-enyl)-oxo-[?]carbonitrile (CAS 257891-52-4), with molecular formula C17H20N4O and molecular weight 296.16 g/mol. IUPAC: 11-methyl-10-(3-methylbut-2-enyl)-2-oxo-1,3,10-triazatricyclo[6.4.1.04,13]trideca-4(13),5,7-triene-7-carbonitrile.
Chemical Property Profile of methyl-(3-methylbut-2-enyl)-oxo-[?]carbonitrile
Property Insights of methyl-(3-methylbut-2-enyl)-oxo-[?]carbonitrile
The XLogP value of 2.37158 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl-(3-methylbut-2-enyl)-oxo-[?]carbonitrile. The TPSA of 64.82 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl-(3-methylbut-2-enyl)-oxo-[?]carbonitrile. Following Lipinski's Rule of Five, methyl-(3-methylbut-2-enyl)-oxo-[?]carbonitrile has 1 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 methyl-(3-methylbut-2-enyl)-oxo-[?]carbonitrile?
The CAS number of methyl-(3-methylbut-2-enyl)-oxo-[?]carbonitrile is 257891-52-4.
What is the molecular formula of methyl-(3-methylbut-2-enyl)-oxo-[?]carbonitrile?
The molecular formula of methyl-(3-methylbut-2-enyl)-oxo-[?]carbonitrile is C17H20N4O.
What is the molecular weight of methyl-(3-methylbut-2-enyl)-oxo-[?]carbonitrile?
The molecular weight of methyl-(3-methylbut-2-enyl)-oxo-[?]carbonitrile is 296.16 g/mol.
Where can I buy methyl-(3-methylbut-2-enyl)-oxo-[?]carbonitrile?
You can request a quote for methyl-(3-methylbut-2-enyl)-oxo-[?]carbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl-(3-methylbut-2-enyl)-oxo-[?]carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for methyl-(3-methylbut-2-enyl)-oxo-[?]carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.