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CAS 105901-10-8 (4-bromophenyl)(4-chlorophenyl)methanol(WX180090) molecular structure lightbox
CAS RN: 105901-10-8

(4-bromophenyl)(4-chlorophenyl)methanol(WX180090)

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260422 100mg / 250mg / 1g Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS105901-10-8
  • Purity/Analytical Methods: >99.0%
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105901-10-8 / (4-bromophenyl)-(4-chlorophenyl)methanol

(4-bromophenyl)(4-chlorophenyl)methanol | (4-bromophenyl)-(4-chlorophenyl)methanol | 4-Bromo-4'-chlorobenzhydrol

Standard CAS: 105901-10-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
105901-10-8
Multi CAS
No
Molecular Formula
C13H10BrClO
Molecular Weight
297.570000
Exact Mass
295.960360
SMILES
C1=CC(=CC=C1C(C2=CC=C(C=C2)Br)O)Cl
InChI
InChI=1S/C13H10BrClO/c14-11-5-1-9(2-6-11)13(16)10-3-7-12(15)8-4-10/h1-8,13,16H
InChIKey
LJKBUKUTDSVGIX-UHFFFAOYSA-N
Synonyms
(4-bromophenyl)(4-chlorophenyl)methanol (4-bromophenyl)-(4-chlorophenyl)methanol 4-Bromo-4'-chlorobenzhydrol MFCD12783948 SCHEMBL1980176

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
12
Fraction Csp3
0.08
Rotatable bonds
2
H-bond acceptors
1
H-bond donors
1
Molar refractivity
69.66
TPSA
20.23

LogP / Solubility

WLOGP
4.18
MLOGP
3.69
XLogP3
4.1
Consensus LogP
3.99
Log S (ESOL)
-4.74
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.02
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.31
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.56

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2

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