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CAS 5464-86-8 2,2-Diphenyl-1,3-propanediol molecular structure lightbox
CAS RN: 5464-86-8

2,2-Diphenyl-1,3-propanediol

  • Product code: SSC-162405
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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 5464-86-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞95% 0 Out of Stock Shanghai Inquiry

5464-86-8 / 2,2-diphenylpropane-1,3-diol

Standard CAS: 5464-86-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
5464-86-8
Multi CAS
No
Molecular Formula
C15H16O2
Molecular Weight
228.290000
Exact Mass
228.115030
InChI
InChI=1S/C15H16O2/c16-11-15(12-17,13-7-3-1-4-8-13)14-9-5-2-6-10-14/h1-10,16-17H,11-12H2
InChIKey
NDYJEAUUNHDJMC-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
17
Aromatic heavy atom count
12
Fraction Csp3
0.2
Rotatable bonds
4
H-bond acceptors
2
H-bond donors
2
Molar refractivity
67.84
TPSA
40.46

LogP / Solubility

WLOGP
1.96
MLOGP
1.73
XLogP3
2.3
Consensus LogP
2
Log S (ESOL)
-2.75
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.85
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.25
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.72

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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