![[2-(3-Hydroxy-5-methylpyrazol-4-yl)adamantan-2-yl]methane-1,1-dicarbonitrile structure](/static/products/304/304868-49-3.png)
[2-(3-Hydroxy-5-methylpyrazol-4-yl)adamantan-2-yl]methane-1,1-dicarbonitrile
TL;DR: [2-(3-Hydroxy-5-methylpyrazol-4-yl)adamantan-2-yl]methane-1,1-dicarbonitrile (CAS 304868-49-3) 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.
2-[2-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)-2-adamantyl]propanedinitrile
Also Known As: TimTec1_000859, BAS 07416637, J1.945.468A, BRD-K29644852-001-02-2, [2-(3-hydroxy-5-methylpyrazol-4-yl)adamantan-2-yl]methane-1,1-dicarbonitrile
| Molecular Formula | C17H20N4O |
|---|---|
| Molecular Weight | 296.16 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 88.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 296.1637 |
| Heavy Atoms | 22 |
| Complexity | 629.0 |
Chemical Identifiers
| CAS Number | 304868-49-3 |
|---|---|
| SMILES | CC1=C(C(=O)NN1)C2(C3CC4CC(C3)CC2C4)C(C#N)C#N |
| InChIKey | GOAONVIXNPDTBV-UHFFFAOYSA-N |
Product Overview
[2-(3-Hydroxy-5-methylpyrazol-4-yl)adamantan-2-yl]methane-1,1-dicarbonitrile (CAS 304868-49-3), with molecular formula C17H20N4O and molecular weight 296.16 g/mol. IUPAC: 2-[2-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)-2-adamantyl]propanedinitrile.
Chemical Property Profile of [2-(3-Hydroxy-5-methylpyrazol-4-yl)adamantan-2-yl]methane-1,1-dicarbonitrile
Property Insights of [2-(3-Hydroxy-5-methylpyrazol-4-yl)adamantan-2-yl]methane-1,1-dicarbonitrile
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for [2-(3-Hydroxy-5-methylpyrazol-4-yl)adamantan-2-yl]methane-1,1-dicarbonitrile. The TPSA of 88.7 Ų falls within the moderate polarity range, balancing permeability and solubility for [2-(3-Hydroxy-5-methylpyrazol-4-yl)adamantan-2-yl]methane-1,1-dicarbonitrile. Following Lipinski's Rule of Five, [2-(3-Hydroxy-5-methylpyrazol-4-yl)adamantan-2-yl]methane-1,1-dicarbonitrile has 2 hydrogen bond donor(s) and 4 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-(3-Hydroxy-5-methylpyrazol-4-yl)adamantan-2-yl]methane-1,1-dicarbonitrile?
The CAS number of [2-(3-Hydroxy-5-methylpyrazol-4-yl)adamantan-2-yl]methane-1,1-dicarbonitrile is 304868-49-3.
What is the molecular formula of [2-(3-Hydroxy-5-methylpyrazol-4-yl)adamantan-2-yl]methane-1,1-dicarbonitrile?
The molecular formula of [2-(3-Hydroxy-5-methylpyrazol-4-yl)adamantan-2-yl]methane-1,1-dicarbonitrile is C17H20N4O.
What is the molecular weight of [2-(3-Hydroxy-5-methylpyrazol-4-yl)adamantan-2-yl]methane-1,1-dicarbonitrile?
The molecular weight of [2-(3-Hydroxy-5-methylpyrazol-4-yl)adamantan-2-yl]methane-1,1-dicarbonitrile is 296.16 g/mol.
Where can I buy [2-(3-Hydroxy-5-methylpyrazol-4-yl)adamantan-2-yl]methane-1,1-dicarbonitrile?
You can request a quote for [2-(3-Hydroxy-5-methylpyrazol-4-yl)adamantan-2-yl]methane-1,1-dicarbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for [2-(3-Hydroxy-5-methylpyrazol-4-yl)adamantan-2-yl]methane-1,1-dicarbonitrile?
Yes, KEHONG BIO provides custom synthesis services for [2-(3-Hydroxy-5-methylpyrazol-4-yl)adamantan-2-yl]methane-1,1-dicarbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.