1-((4'-Chloro-5,5-dimethyl-3,4,5,6-tetrahydro-[1,1'-biphenyl]-2-yl)methyl)piperazine dihydrochloride

Cat. No.: PI1628047879

Product Details Other Identifiers Computed Properties

CAS	1628047-87-9
Purity	97%
Molecular Formula	C19H29Cl3N2
Molecular Weight	391.81
Molar Refractivity	117.39

Pubchem ID	90404543
InChI Key	KISZDCHFJKYNFW-UHFFFAOYSA-N
MDL Number	MFCD28334264

Hydrogen Bond Donor Count	1.0
Hydrogen Bond Acceptor Count	2.0
Rotatable Bond Count	3
Topological Polar Surface Area	15.27 Å²
Heavy Atom Count	24
Aromatic Heavy Atoms Number	6
Fraction Csp3	0.58
Log Po/w (iLOGP)	0.0
Log Po/w (XLOGP3)	5.25
Log Po/w (WLOGP)	5.05
Log Po/w (MLOGP)	4.35
Log Po/w (SILICOS-IT)	4.77
Consensus Log Po/w	3.88
GI Absorption	High
BBB Permeant	Yes
P-gp Substrate	Yes
CYP1A2Inhibitor	No
CYP2C19Inhibitor	No
CYP2C9Inhibitor	No
CYP2D6Inhibitor	No
CYP3A4Inhibitor	Yes
Log Kp (Skin Permeation)	-4.96 cm/s
Lipinski	1.0
Ghose	None
Veber	0.0
Egan	0.0
Muegge	1.0
Bioavailability Score	0.55
PAINS	0.0 alert
Brenk	0.0 alert
Leadlikeness	2.0
Synthetic Accessibility	3.27

* 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 *