Free release
(4-Bromo-3-fluorophenyl)methanol

(4-Bromo-3-fluorophenyl)methanol

CAS No. :222978-01-0MDL No. :MFCD08236860Formula :C7H6BrFOBoiling Point :No data availableLinear Structure Formula :-InC

Sales:Service@apichina.com
CAS No. :222978-01-0 Brand :Qitai
Formula :C7H6BrFO M.W :205.02

Introduction

CAS No. :222978-01-0 MDL No. :MFCD08236860
Formula : C7H6BrFO Boiling Point : No data available
Linear Structure Formula :- InChI Key :VQDUFYPJCUBGQW-UHFFFAOYSA-N
M.W : 205.02 Pubchem ID :20682297
Synonyms :

Physicochemical Properties

Num. heavy atoms : 10
Num. arom. heavy atoms : 6
Fraction Csp3 : 0.14
Num. rotatable bonds : 1
Num. H-bond acceptors : 2.0
Num. H-bond donors : 1.0
Molar Refractivity : 40.23
TPSA : 20.23 Ų

Pharmacokinetics

GI absorption : High
BBB permeant : Yes
P-gp substrate : No
CYP1A2 inhibitor : Yes
CYP2C19 inhibitor : No
CYP2C9 inhibitor : No
CYP2D6 inhibitor : No
CYP3A4 inhibitor : No
Log Kp (skin permeation) : -6.25 cm/s

Lipophilicity

Log Po/w (iLOGP) : 1.89
Log Po/w (XLOGP3) : 1.83
Log Po/w (WLOGP) : 2.35
Log Po/w (MLOGP) : 2.72
Log Po/w (SILICOS-IT) : 2.77
Consensus Log Po/w : 2.31

Druglikeness

Lipinski : 0.0
Ghose : None
Veber : 0.0
Egan : 0.0
Muegge : 1.0
Bioavailability Score : 0.55

Water Solubility

Log S (ESOL) : -2.64
Solubility : 0.467 mg/ml ; 0.00228 mol/l
Class : Soluble
Log S (Ali) : -1.88
Solubility : 2.73 mg/ml ; 0.0133 mol/l
Class : Very soluble
Log S (SILICOS-IT) : -3.36
Solubility : 0.0887 mg/ml ; 0.000433 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 0.0 alert
Leadlikeness : 1.0
Synthetic accessibility : 1.39
Signal Word:Warning Class:
Precautionary Statements:P261-P305+P351+P338 UN#:
Hazard Statements:H315-H319-H335 Packing Group:
GHS Pictogram: