BX471

Name: BX471
SKU: PI217645700
Rating: 5 (1 reviews)

Cat. No.: PI217645700

Product Details Other Identifiers Computed Properties

CAS	217645-70-0
Synonyms	(R)-1-(5-Chloro-2-(2-(4-(4-fluorobenzyl)-2-methylpiperazin-1-yl)-2-oxoethoxy)phenyl)urea
Purity	98%
Molecular Formula	C21H24ClFN4O3
Molecular Weight	434.89
Molar Refractivity	120.35

Pubchem ID	512282
InChI Key	XQYASZNUFDVMFH-CQSZACIVSA-N
MDL Number	MFCD09859709

Hydrogen Bond Donor Count	2.0
Hydrogen Bond Acceptor Count	5.0
Rotatable Bond Count	8
Topological Polar Surface Area	87.9 Å²
Heavy Atom Count	30
Aromatic Heavy Atoms Number	12
Fraction Csp3	0.33
Log Po/w (iLOGP)	3.08
Log Po/w (XLOGP3)	2.49
Log Po/w (WLOGP)	2.4
Log Po/w (MLOGP)	2.38
Log Po/w (SILICOS-IT)	2.33
Consensus Log Po/w	2.54
GI Absorption	High
BBB Permeant	No
P-gp Substrate	Yes
CYP1A2Inhibitor	No
CYP2C19Inhibitor	Yes
CYP2C9Inhibitor	No
CYP2D6Inhibitor	Yes
CYP3A4Inhibitor	Yes
Log Kp (Skin Permeation)	-7.18 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	2.0
Synthetic Accessibility	3.33

* 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 *