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CAS 46047-18-1 4-(2H-TETRAZOL-5-YL)-PHENYLAMINE molecular structure lightbox
CAS RN: 46047-18-1

4-(2H-TETRAZOL-5-YL)-PHENYLAMINE

  • Product code: SSC-153616
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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: 1g, 0.1g, 0.25g, 10g, 5g, 25g, 100g
  • Available purity: ≥97%
  • Inventory rows with stock: 6
  • 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 46047-18-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥97% 4 In Stock Shanghai Inquiry
0.1g ≥97% 2 In Stock Shanghai Inquiry
0.25g ≥97% 2 In Stock Shenzhen Inquiry
10g ≥97% 2 In Stock Beijing Inquiry
5g ≥97% 1 In Stock Beijing Inquiry
25g ≥97% 1 In Stock Beijing Inquiry
100g ≥97% 0 Out of Stock Shenzhen Inquiry

46047-18-1 / 4-(2H-tetrazol-5-yl)aniline

Standard CAS: 46047-18-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
46047-18-1
Multi CAS
No
Molecular Formula
C7H7N5
Molecular Weight
161.160000
Exact Mass
161.070145
InChI
InChI=1S/C7H7N5/c8-6-3-1-5(2-4-6)7-9-11-12-10-7/h1-4H,8H2,(H,9,10,11,12)
InChIKey
KTPONJJKCBOJCQ-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
44.03
TPSA
80.48

LogP / Solubility

WLOGP
0.45
MLOGP
0.39
XLogP3
0.5
Consensus LogP
0.45
Log S (ESOL)
-1.73
Class (ESOL)
Soluble
Log S (Ali)
-1.21
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.2
Class (SILICOS-IT)
Soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.38

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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