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CAS 83493-87-2 2-([1,1′-biphenyl]-4-yl)-2-methylpropan-1-ol molecular structure lightbox
CAS RN: 83493-87-2

2-([1,1′-biphenyl]-4-yl)-2-methylpropan-1-ol

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260527 100mg / 250mg / 1g / 5g Confirm by inquiry Shandong 5-7 business days Inquiry
  • Product code: starshine_CAS83493-87-2
  • Purity/Analytical Methods: >99.0%
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83493-87-2 / 2-methyl-2-(4-phenylphenyl)propan-1-ol

Standard CAS: 83493-87-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
83493-87-2
Multi CAS
No
Molecular Formula
C16H18O
Molecular Weight
226.310000
Exact Mass
226.135765
InChI
InChI=1S/C16H18O/c1-16(2,12-17)15-10-8-14(9-11-15)13-6-4-3-5-7-13/h3-11,17H,12H2,1-2H3
InChIKey
FPBFTVSXVWPZAY-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
17
Aromatic heavy atom count
12
Fraction Csp3
0.25
Rotatable bonds
3
H-bond acceptors
1
H-bond donors
1
Molar refractivity
71.99
TPSA
20.23

LogP / Solubility

WLOGP
3.62
MLOGP
3.19
XLogP3
4
Consensus LogP
3.6
Log S (ESOL)
-3.85
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.03
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.5
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.53

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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