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CAS 48170-23-6 2-methyl-2-(4-phenylphenyl)propanoic acid molecular structure lightbox
CAS RN: 48170-23-6

2-methyl-2-(4-phenylphenyl)propanoic acid

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Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260326 100mg / 250mg Confirm by inquiry Shanghai Inquiry
  • Product code: starshine_CAS48170-23-6
  • Purity/Analytical Methods: >99.0%
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48170-23-6 / 2-methyl-2-(4-phenylphenyl)propanoic acid

Standard CAS: 48170-23-6 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
48170-23-6
Multi CAS
Yes
Molecular Formula
C16H16O2
Molecular Weight
240.300000
Exact Mass
240.115030
InChI
InChI=1S/C16H16O2/c1-16(2,15(17)18)14-10-8-13(9-11-14)12-6-4-3-5-7-12/h3-11H,1-2H3,(H,17,18)
InChIKey
OSLDJEURSCSPAQ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
18
Aromatic heavy atom count
12
Fraction Csp3
0.19
Rotatable bonds
3
H-bond acceptors
1
H-bond donors
1
Molar refractivity
72.54
TPSA
37.3

LogP / Solubility

WLOGP
3.72
MLOGP
3.27
XLogP3
3.9
Consensus LogP
3.63
Log S (ESOL)
-3.97
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.21
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.67
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)
-1.55

Drug-likeness / Medicinal Chemistry

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

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