2-Cyano-N-(4-(trifluoromethyl)phenyl)acetamide

Name: 2-Cyano-N-(4-(trifluoromethyl)phenyl)acetamide
SKU: PI24522303
Rating: 5 (1 reviews)

Cat. No.: PI24522303

Product Details Other Identifiers Computed Properties

CAS	24522-30-3
Purity	98%
Molecular Formula	C10H7F3N2O
Molecular Weight	228.17
Molar Refractivity	50.31

Pubchem ID	3823803
InChI Key	JBNCFFDGYDZEEN-UHFFFAOYSA-N
MDL Number	MFCD05669245

Hydrogen Bond Donor Count	1.0
Hydrogen Bond Acceptor Count	5.0
Rotatable Bond Count	4
Topological Polar Surface Area	52.89 Å²
Heavy Atom Count	16
Aromatic Heavy Atoms Number	6
Fraction Csp3	0.2
Log Po/w (iLOGP)	1.23
Log Po/w (XLOGP3)	2.96
Log Po/w (WLOGP)	3.52
Log Po/w (MLOGP)	1.88
Log Po/w (SILICOS-IT)	2.33
Consensus Log Po/w	2.38
GI Absorption	High
BBB Permeant	Yes
P-gp Substrate	No
CYP1A2Inhibitor	Yes
CYP2C19Inhibitor	No
CYP2C9Inhibitor	No
CYP2D6Inhibitor	No
CYP3A4Inhibitor	No
Log Kp (Skin Permeation)	-5.59 cm/s
Lipinski	0.0
Ghose	None
Veber	0.0
Egan	0.0
Muegge	0.0
Bioavailability Score	0.55
PAINS	0.0 alert
Brenk	0.0 alert
Leadlikeness	1.0
Synthetic Accessibility	1.37

* Our products are for research use only.

Get in Touch

We’re glad to help you with your products and services demands. For any inquiry, question or recommendation, please send an email to or fill out the following form.

Name *

Phone

Email *

Address *

Products & Service of Interest *

Project Description

Verification Code *