4-(4-Chlorophenoxy)aniline

Cat. No.: PI101791

Product Details Other Identifiers Computed Properties

CAS	101-79-1
Purity	97%
Molecular Formula	C12H10ClNO
Molecular Weight	219.67
Molar Refractivity	62.37

Pubchem ID	7578
InChI Key	YTISFYMPVILQRL-UHFFFAOYSA-N
MDL Number	MFCD00043925

Hydrogen Bond Donor Count	1.0
Hydrogen Bond Acceptor Count	1.0
Rotatable Bond Count	2
Topological Polar Surface Area	35.25 Å²
Heavy Atom Count	15
Aromatic Heavy Atoms Number	12
Fraction Csp3	0.0
Log Po/w (iLOGP)	2.45
Log Po/w (XLOGP3)	2.67
Log Po/w (WLOGP)	3.72
Log Po/w (MLOGP)	3.22
Log Po/w (SILICOS-IT)	2.94
Consensus Log Po/w	3.0
GI Absorption	High
BBB Permeant	Yes
P-gp Substrate	No
CYP1A2Inhibitor	Yes
CYP2C19Inhibitor	Yes
CYP2C9Inhibitor	Yes
CYP2D6Inhibitor	No
CYP3A4Inhibitor	No
Log Kp (Skin Permeation)	-5.74 cm/s
Lipinski	0.0
Ghose	None
Veber	0.0
Egan	0.0
Muegge	0.0
Bioavailability Score	0.55
PAINS	1.0 alert
Brenk	1.0 alert
Leadlikeness	1.0
Synthetic Accessibility	1.64

* 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 *