![[(3-Adamantanyl-1-phenylpyrazol-4-yl)methylene]methane-1,1-dicarbonitrile structure](/static/products/312/312308-80-8.png)
[(3-Adamantanyl-1-phenylpyrazol-4-yl)methylene]methane-1,1-dicarbonitrile
TL;DR: [(3-Adamantanyl-1-phenylpyrazol-4-yl)methylene]methane-1,1-dicarbonitrile (CAS 312308-80-8) is a chemical compound with molecular formula C23H22N4 and molecular weight 354.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[3-(1-adamantyl)-1-phenylpyrazol-4-yl]methylidene]propanedinitrile
Also Known As: BAS 07416759, [(3-adamantanyl-1-phenylpyrazol-4-yl)methylene]methane-1,1-dicarbonitrile, 2-(3-Adamantan-1-yl-1-phenyl-1H-pyrazol-4-ylmethylene)-malononitrile, 2-[[3-(1-adamantyl)-1-phenylpyrazol-4-yl]methylidene]propanedinitrile, 2-((3-((3r,5r,7r)-adamantan-1-yl)-1-phenyl-1H-pyrazol-4-yl)methylene)malononitrile
| Molecular Formula | C23H22N4 |
|---|---|
| Molecular Weight | 354.18 g/mol |
| LogP | 4.77066 |
| Topological Polar Surface Area | 65.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 354.18445 |
| Heavy Atoms | 27 |
| Complexity | 932.33685 |
Chemical Identifiers
| CAS Number | 312308-80-8 |
|---|---|
| SMILES | C1C2CC3CC1CC(C2)(C3)C4=NN(C=C4C=C(C#N)C#N)C5=CC=CC=C5 |
Product Overview
[(3-Adamantanyl-1-phenylpyrazol-4-yl)methylene]methane-1,1-dicarbonitrile (CAS 312308-80-8), with molecular formula C23H22N4 and molecular weight 354.18 g/mol. IUPAC: 2-[[3-(1-adamantyl)-1-phenylpyrazol-4-yl]methylidene]propanedinitrile.
Chemical Property Profile of [(3-Adamantanyl-1-phenylpyrazol-4-yl)methylene]methane-1,1-dicarbonitrile
Property Insights of [(3-Adamantanyl-1-phenylpyrazol-4-yl)methylene]methane-1,1-dicarbonitrile
The XLogP value of 4.77066 indicates that [(3-Adamantanyl-1-phenylpyrazol-4-yl)methylene]methane-1,1-dicarbonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 65.4 Ų falls within the moderate polarity range, balancing permeability and solubility for [(3-Adamantanyl-1-phenylpyrazol-4-yl)methylene]methane-1,1-dicarbonitrile. Following Lipinski's Rule of Five, [(3-Adamantanyl-1-phenylpyrazol-4-yl)methylene]methane-1,1-dicarbonitrile 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 [(3-Adamantanyl-1-phenylpyrazol-4-yl)methylene]methane-1,1-dicarbonitrile?
The CAS number of [(3-Adamantanyl-1-phenylpyrazol-4-yl)methylene]methane-1,1-dicarbonitrile is 312308-80-8.
What is the molecular formula of [(3-Adamantanyl-1-phenylpyrazol-4-yl)methylene]methane-1,1-dicarbonitrile?
The molecular formula of [(3-Adamantanyl-1-phenylpyrazol-4-yl)methylene]methane-1,1-dicarbonitrile is C23H22N4.
What is the molecular weight of [(3-Adamantanyl-1-phenylpyrazol-4-yl)methylene]methane-1,1-dicarbonitrile?
The molecular weight of [(3-Adamantanyl-1-phenylpyrazol-4-yl)methylene]methane-1,1-dicarbonitrile is 354.18 g/mol.
Where can I buy [(3-Adamantanyl-1-phenylpyrazol-4-yl)methylene]methane-1,1-dicarbonitrile?
You can request a quote for [(3-Adamantanyl-1-phenylpyrazol-4-yl)methylene]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 [(3-Adamantanyl-1-phenylpyrazol-4-yl)methylene]methane-1,1-dicarbonitrile?
Yes, KEHONG BIO provides custom synthesis services for [(3-Adamantanyl-1-phenylpyrazol-4-yl)methylene]methane-1,1-dicarbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.