![Propanedinitrile, [[[3,5-bis(trifluoromethyl)phenyl]amino]methylene]- structure](/static/products/2412/24128-29-8.webp)
Propanedinitrile, [[[3,5-bis(trifluoromethyl)phenyl]amino]methylene]-
TL;DR: Propanedinitrile, [[[3,5-bis(trifluoromethyl)phenyl]amino]methylene]- (CAS 24128-29-8) is a chemical compound with molecular formula C12H5F6N3 and molecular weight 305.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[3,5-bis(trifluoromethyl)anilino]methylidene]propanedinitrile
Also Known As: Maybridge1_000846, Propanedinitrile, [[[3,5-bis(trifluoromethyl)phenyl]amino]methylene]-, 2-[[3,5-bis(trifluoromethyl)anilino]methylidene]propanedinitrile, 3,5-bis-trifluoromethyl-N-(2,2-dicyanovinyl)-aniline, {[3,5-Bis(trifluoromethyl)anilino]methylidene}propanedinitrile
| Molecular Formula | C12H5F6N3 |
|---|---|
| Molecular Weight | 305.04 g/mol |
| LogP | 4.06716 |
| Topological Polar Surface Area | 59.61 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 305.03876 |
| Heavy Atoms | 21 |
| Complexity | 594.66754 |
Chemical Identifiers
| CAS Number | 24128-29-8 |
|---|---|
| SMILES | C1=C(C=C(C=C1C(F)(F)F)NC=C(C#N)C#N)C(F)(F)F |
Product Overview
Propanedinitrile, [[[3,5-bis(trifluoromethyl)phenyl]amino]methylene]- (CAS 24128-29-8), with molecular formula C12H5F6N3 and molecular weight 305.04 g/mol. IUPAC: 2-[[3,5-bis(trifluoromethyl)anilino]methylidene]propanedinitrile.
Chemical Property Profile of Propanedinitrile, [[[3,5-bis(trifluoromethyl)phenyl]amino]methylene]-
Property Insights of Propanedinitrile, [[[3,5-bis(trifluoromethyl)phenyl]amino]methylene]-
The XLogP value of 4.06716 indicates that Propanedinitrile, [[[3,5-bis(trifluoromethyl)phenyl]amino]methylene]- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 59.61 Ų, Propanedinitrile, [[[3,5-bis(trifluoromethyl)phenyl]amino]methylene]- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Propanedinitrile, [[[3,5-bis(trifluoromethyl)phenyl]amino]methylene]- 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 Propanedinitrile, [[[3,5-bis(trifluoromethyl)phenyl]amino]methylene]-?
The CAS number of Propanedinitrile, [[[3,5-bis(trifluoromethyl)phenyl]amino]methylene]- is 24128-29-8.
What is the molecular formula of Propanedinitrile, [[[3,5-bis(trifluoromethyl)phenyl]amino]methylene]-?
The molecular formula of Propanedinitrile, [[[3,5-bis(trifluoromethyl)phenyl]amino]methylene]- is C12H5F6N3.
What is the molecular weight of Propanedinitrile, [[[3,5-bis(trifluoromethyl)phenyl]amino]methylene]-?
The molecular weight of Propanedinitrile, [[[3,5-bis(trifluoromethyl)phenyl]amino]methylene]- is 305.04 g/mol.
Where can I buy Propanedinitrile, [[[3,5-bis(trifluoromethyl)phenyl]amino]methylene]-?
You can request a quote for Propanedinitrile, [[[3,5-bis(trifluoromethyl)phenyl]amino]methylene]- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Propanedinitrile, [[[3,5-bis(trifluoromethyl)phenyl]amino]methylene]-?
Yes, KEHONG BIO provides custom synthesis services for Propanedinitrile, [[[3,5-bis(trifluoromethyl)phenyl]amino]methylene]- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.