1-Bromo-4-chlorobutane

Name: 1-Bromo-4-chlorobutane
SKU: PI6940789
Rating: 5 (1 reviews)

Catalog NumberPI6940789

CAS Number6940-78-9

CategoryAntipsychotics Intermediates

Product Details

Purity	97%
Molecular Formula	C4H8BrCl
Linear Formula	ClCH2CH2CH2CH2Br
Molecular Weight	171.46
Molar Refractivity	34.01

Download COA Download MSDS

Other Identifiers

Pubchem ID	81364
InChI Key	NIDSRGCVYOEDFW-UHFFFAOYSA-N
MDL Number	MFCD00001010

Computed Properties

Aromatic Heavy Atoms Number	0
BBB Permeant	Yes
Bioavailability Score	0.55
Brenk	1.0 alert
Consensus Log Po/w	2.37
CYP1A2Inhibitor	No
CYP2C19Inhibitor	No
CYP2C9Inhibitor	No
CYP2D6Inhibitor	No
CYP3A4Inhibitor	No
Egan	0.0
Fraction Csp3	1.0
Ghose	None
GI Absorption	Low
Heavy Atom Count	6
Hydrogen Bond Acceptor Count	0.0
Hydrogen Bond Donor Count	0.0
Leadlikeness	1.0
Lipinski	0.0
Log Kp (Skin Permeation)	-5.72 cm/s
Log Po/w (iLOGP)	2.11
Log Po/w (MLOGP)	2.78
Log Po/w (SILICOS-IT)	2.26
Log Po/w (WLOGP)	2.4
Log Po/w (XLOGP3)	2.29
Muegge	3.0
PAINS	0.0 alert
P-gp Substrate	No
Rotatable Bond Count	3
Synthetic Accessibility	2.61
Topological Polar Surface Area	0.0 Å²
Veber	0.0

* 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