(S)-1-(3,5-Bis(trifluoromethyl)phenyl)ethanol

Cat. No.: PI225920058

Product Details Other Identifiers Computed Properties

CAS	225920-05-8
Purity	96%
Molecular Formula	C10H8F6O
Molecular Weight	258.16
Molar Refractivity	47.38

Pubchem ID	9816575
InChI Key	MMSCIQKQJVBPIR-YFKPBYRVSA-N
MDL Number	MFCD03093011

Hydrogen Bond Donor Count	1.0
Hydrogen Bond Acceptor Count	7.0
Rotatable Bond Count	3
Topological Polar Surface Area	20.23 Å²
Heavy Atom Count	17
Aromatic Heavy Atoms Number	6
Fraction Csp3	0.4
Log Po/w (iLOGP)	2.49
Log Po/w (XLOGP3)	3.21
Log Po/w (WLOGP)	5.76
Log Po/w (MLOGP)	3.87
Log Po/w (SILICOS-IT)	3.98
Consensus Log Po/w	3.86
GI Absorption	High
BBB Permeant	No
P-gp Substrate	No
CYP1A2Inhibitor	Yes
CYP2C19Inhibitor	No
CYP2C9Inhibitor	No
CYP2D6Inhibitor	Yes
CYP3A4Inhibitor	No
Log Kp (Skin Permeation)	-5.6 cm/s
Lipinski	0.0
Ghose	None
Veber	0.0
Egan	0.0
Muegge	1.0
Bioavailability Score	0.55
PAINS	0.0 alert
Brenk	0.0 alert
Leadlikeness	0.0
Synthetic Accessibility	2.18

* 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 *