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CAS 7116-95-2 4-Isopropylbiphenyl molecular structure lightbox
CAS RN: 7116-95-2

4-Isopropylbiphenyl

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251206 1g / 5g Confirm by inquiry Shanghai Inquiry
  • Product code: ICTI0171
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7116-95-2 / 1-phenyl-4-propan-2-ylbenzene

Standard CAS: 7116-95-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
7116-95-2
Multi CAS
No
Molecular Formula
C15H16
Molecular Weight
196.290000
Exact Mass
196.125201
InChI
InChI=1S/C15H16/c1-12(2)13-8-10-15(11-9-13)14-6-4-3-5-7-14/h3-12H,1-2H3
InChIKey
KWSHGRJUSUJPQD-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
12
Fraction Csp3
0.2
Rotatable bonds
2
Molar refractivity
65.97
TPSA
0.0000

LogP / Solubility

WLOGP
4.48
MLOGP
3.94
XLogP3
5.4
Consensus LogP
4.61
Log S (ESOL)
-4.34
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.4
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.89
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-0.74

Drug-likeness / Medicinal Chemistry

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

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