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CAS 249291-82-5 1H-TETRAZOLE, 1-(4-IODOPHENYL)- molecular structure lightbox
CAS RN: 249291-82-5

1H-TETRAZOLE, 1-(4-IODOPHENYL)-

  • Product code: SSC-120228
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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: ≥95%
  • 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 249291-82-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ≥95% 5 In Stock Shenzhen Inquiry
0.25g ≥95% 5 In Stock Shenzhen Inquiry
1g ≥95% 5 In Stock Shenzhen Inquiry

249291-82-5 / 1-(4-iodophenyl)tetrazole

Standard CAS: 249291-82-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
249291-82-5
Multi CAS
No
Molecular Formula
C7H5IN4
Molecular Weight
272.050000
Exact Mass
271.955890
SMILES
C1=CC(=CC=C1N2C=NN=N2)I
InChI
InChI=1S/C7H5IN4/c8-6-1-3-7(4-2-6)12-5-9-10-11-12/h1-5H
InChIKey
FQIAPNSOMVSOGG-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
11
Rotatable bonds
1
H-bond acceptors
4
Molar refractivity
51.87
TPSA
43.6

LogP / Solubility

WLOGP
1.27
MLOGP
1.12
XLogP3
1.7
Consensus LogP
1.36
Log S (ESOL)
-2.94
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.71
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.6
Class (SILICOS-IT)
Moderately 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)
-3.48

Drug-likeness / Medicinal Chemistry

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

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