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CAS 613241-14-8 4-(bromomethyl)-4′-(trifluoromethyl)-1,1′-biphenyl molecular structure lightbox
CAS RN: 613241-14-8

4-(bromomethyl)-4′-(trifluoromethyl)-1,1′-biphenyl

Product Availability

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4 package records3 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260302 100mg In stock Shanghai Inquiry
Batchno.20250312 100mg / 250mg / 1g Out of stock 5-7 business days Inquiry
Batchno.20250424 1g In stock Shanghai Inquiry
Batchno.20260209 250mg In stock Shanghai Inquiry
  • Product code: starshine_CAS613241-14-8
  • Purity/Analytical Methods: >99.0%
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613241-14-8 / 1-(bromomethyl)-4-[4-(trifluoromethyl)phenyl]benzene

Standard CAS: 613241-14-8 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
613241-14-8
Multi CAS
Yes
Molecular Formula
BC14H10Rf3
Molecular Weight
315.130000
Exact Mass
313.991800
InChI
InChI=1S/C14H10BrF3/c15-9-10-1-3-11(4-2-10)12-5-7-13(8-6-12)14(16,17)18/h1-8H,9H2
InChIKey
KFWJYVSMZTXKKG-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
18
Aromatic heavy atom count
12
Fraction Csp3
0.14
Rotatable bonds
2
H-bond acceptors
3
Molar refractivity
69.51
TPSA
0.0000

LogP / Solubility

WLOGP
5.27
MLOGP
4.65
XLogP3
5
Consensus LogP
4.97
Log S (ESOL)
-5.47
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.95
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.32
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-0.9

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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