3-Chloro-4-(pyridin-2-ylmethoxy)aniline

Name: 3-Chloro-4-(pyridin-2-ylmethoxy)aniline
SKU: PI524955097
Rating: 5 (1 reviews)

Cat. No.: PI524955097

Product Details Other Identifiers Computed Properties

CAS	524955-09-7
Purity	95%
Molecular Formula	C12H11ClN2O
Molecular Weight	234.68
Molar Refractivity	64.63

Pubchem ID	16781212
InChI Key	XCAPJQSICQSUJP-UHFFFAOYSA-N
MDL Number	MFCD08699389

Hydrogen Bond Donor Count	1.0
Hydrogen Bond Acceptor Count	2.0
Rotatable Bond Count	3
Topological Polar Surface Area	48.14 Å²
Heavy Atom Count	16
Aromatic Heavy Atoms Number	12
Fraction Csp3	0.08
Log Po/w (iLOGP)	2.04
Log Po/w (XLOGP3)	2.3
Log Po/w (WLOGP)	2.75
Log Po/w (MLOGP)	1.68
Log Po/w (SILICOS-IT)	2.75
Consensus Log Po/w	2.3
GI Absorption	High
BBB Permeant	Yes
P-gp Substrate	No
CYP1A2Inhibitor	Yes
CYP2C19Inhibitor	Yes
CYP2C9Inhibitor	No
CYP2D6Inhibitor	No
CYP3A4Inhibitor	Yes
Log Kp (Skin Permeation)	-6.1 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	1.0 alert
Leadlikeness	1.0
Synthetic Accessibility	2.03

* 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 *