![2-[1-(Adamantan-1-ylamino)-2,2,2-trifluoro-ethylidene]-malononitrile structure](/static/products/445/445465-02-1.png)
2-[1-(Adamantan-1-ylamino)-2,2,2-trifluoro-ethylidene]-malononitrile
TL;DR: 2-[1-(Adamantan-1-ylamino)-2,2,2-trifluoro-ethylidene]-malononitrile (CAS 445465-02-1) is a chemical compound with molecular formula C15H16F3N3 and molecular weight 295.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[1-(1-adamantylamino)-2,2,2-trifluoroethylidene]propanedinitrile
Also Known As: TimTec1_003043, A2740/0116381, BRD-K53378530-001-01-8, 2-[1-(Adamantan-1-ylamino)-2,2,2-trifluoro-ethylidene]-malononitrile, [1-(adamantan-1-ylamino)-2,2,2-trifluoroethylidene]malononitrile
| Molecular Formula | C15H16F3N3 |
|---|---|
| Molecular Weight | 295.13 g/mol |
| LogP | 4.3 |
| Topological Polar Surface Area | 59.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 295.12964 |
| Heavy Atoms | 21 |
| Complexity | 525.0 |
Chemical Identifiers
| CAS Number | 445465-02-1 |
|---|---|
| SMILES | C1C2CC3CC1CC(C2)(C3)NC(=C(C#N)C#N)C(F)(F)F |
| InChIKey | HNCSBHULHYRFEL-UHFFFAOYSA-N |
Product Overview
2-[1-(Adamantan-1-ylamino)-2,2,2-trifluoro-ethylidene]-malononitrile (CAS 445465-02-1), with molecular formula C15H16F3N3 and molecular weight 295.13 g/mol. IUPAC: 2-[1-(1-adamantylamino)-2,2,2-trifluoroethylidene]propanedinitrile.
Chemical Property Profile of 2-[1-(Adamantan-1-ylamino)-2,2,2-trifluoro-ethylidene]-malononitrile
Property Insights of 2-[1-(Adamantan-1-ylamino)-2,2,2-trifluoro-ethylidene]-malononitrile
The XLogP value of 4.3 indicates that 2-[1-(Adamantan-1-ylamino)-2,2,2-trifluoro-ethylidene]-malononitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 59.6 Ų, 2-[1-(Adamantan-1-ylamino)-2,2,2-trifluoro-ethylidene]-malononitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-[1-(Adamantan-1-ylamino)-2,2,2-trifluoro-ethylidene]-malononitrile has 1 hydrogen bond donor(s) and 6 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-[1-(Adamantan-1-ylamino)-2,2,2-trifluoro-ethylidene]-malononitrile?
The CAS number of 2-[1-(Adamantan-1-ylamino)-2,2,2-trifluoro-ethylidene]-malononitrile is 445465-02-1.
What is the molecular formula of 2-[1-(Adamantan-1-ylamino)-2,2,2-trifluoro-ethylidene]-malononitrile?
The molecular formula of 2-[1-(Adamantan-1-ylamino)-2,2,2-trifluoro-ethylidene]-malononitrile is C15H16F3N3.
What is the molecular weight of 2-[1-(Adamantan-1-ylamino)-2,2,2-trifluoro-ethylidene]-malononitrile?
The molecular weight of 2-[1-(Adamantan-1-ylamino)-2,2,2-trifluoro-ethylidene]-malononitrile is 295.13 g/mol.
Where can I buy 2-[1-(Adamantan-1-ylamino)-2,2,2-trifluoro-ethylidene]-malononitrile?
You can request a quote for 2-[1-(Adamantan-1-ylamino)-2,2,2-trifluoro-ethylidene]-malononitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[1-(Adamantan-1-ylamino)-2,2,2-trifluoro-ethylidene]-malononitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-[1-(Adamantan-1-ylamino)-2,2,2-trifluoro-ethylidene]-malononitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.