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CAS 57732-89-5 (2-BENZYL)-PHENYL-2-ISOPROPANOL molecular structure lightbox
CAS RN: 57732-89-5

(2-BENZYL)-PHENYL-2-ISOPROPANOL

  • Product code: SSC-165923
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 1g
  • Available purity: ≥95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 57732-89-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

57732-89-5 / 2-(2-benzylphenyl)propan-2-ol

Standard CAS: 57732-89-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
57732-89-5
Multi CAS
No
Molecular Formula
C16H18O
Molecular Weight
226.310000
Exact Mass
226.135765
InChI
InChI=1S/C16H18O/c1-16(2,17)15-11-7-6-10-14(15)12-13-8-4-3-5-9-13/h3-11,17H,12H2,1-2H3
InChIKey
AZSVMDLPFIKTIL-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
70.93
TPSA
20.23

LogP / Solubility

WLOGP
3.5
MLOGP
3.09
XLogP3
3.5
Consensus LogP
3.36
Log S (ESOL)
-3.78
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.95
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.4
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)
-1.61

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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