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CAS 746656-39-3 Phenol, 3-(4H-1,2,4-triazol-4-yl)- (9CI) molecular structure lightbox
CAS RN: 746656-39-3

Phenol, 3-(4H-1,2,4-triazol-4-yl)- (9CI)

  • Product code: SSC-184122
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Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 0.1g, 0.25g, 1g
  • Available purity: >97%
  • Inventory rows with stock: 3
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 746656-39-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g >97% 2 In Stock Hong Kong Inquiry
0.25g >97% 2 In Stock Shenzhen Inquiry
1g >97% 2 In Stock Beijing Inquiry

746656-39-3 / 3-(1,2,4-triazol-4-yl)phenol

Standard CAS: 746656-39-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
746656-39-3
Multi CAS
No
Molecular Formula
C8H7N3O
Molecular Weight
161.160000
Exact Mass
161.058912
InChI
InChI=1S/C8H7N3O/c12-8-3-1-2-7(4-8)11-5-9-10-6-11/h1-6,12H
InChIKey
HGYDYAJSQGPQKI-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
11
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
1
Molar refractivity
43.02
TPSA
50.94

LogP / Solubility

WLOGP
0.97
MLOGP
0.85
XLogP3
0.7
Consensus LogP
0.84
Log S (ESOL)
-2.06
Class (ESOL)
Moderately soluble
Log S (Ali)
-1.58
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.64
Class (SILICOS-IT)
Soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.01

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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