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CAS 51517-88-5 4-(2-TRITYL-2H-TETRAZOL-5-YLMETHYL)-PHENOL molecular structure lightbox
CAS RN: 51517-88-5

4-(2-TRITYL-2H-TETRAZOL-5-YLMETHYL)-PHENOL

Product Availability

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4 package records4 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251020 1g In stock Shanghai Inquiry
Batchno.20260228 250mg In stock Shanghai Inquiry
Batchno.20251031 25g In stock Shanghai Inquiry
Batchno.20250615 5g In stock Shanghai Inquiry
  • Product code: SSC-158404
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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: 0.25g, 5g, 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 51517-88-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g >97% 5 In Stock Hong Kong Inquiry
5g >97% 4 In Stock Shanghai Inquiry
1g >97% 1 In Stock Shenzhen Inquiry

51517-88-5 / 4-(2H-tetrazol-5-yl)phenol

Standard CAS: 51517-88-5 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
51517-88-5
Multi CAS
Yes
Molecular Formula
C7H6N4O
Molecular Weight
162.150000
Exact Mass
162.054161
InChI
InChI=1S/C7H6N4O/c12-6-3-1-5(2-4-6)7-8-10-11-9-7/h1-4,12H,(H,8,9,10,11)
InChIKey
QOYMNYWFHZFXHR-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
2
Molar refractivity
41.28
TPSA
74.69

LogP / Solubility

WLOGP
0.57
MLOGP
0.5
XLogP3
0.8
Consensus LogP
0.62
Log S (ESOL)
-1.82
Class (ESOL)
Soluble
Log S (Ali)
-1.3
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.31
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)
-3.3

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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