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CAS 25108-32-1 1H-TETRAZOLE, 1-(4-CHLOROPHENYL)- molecular structure lightbox
CAS RN: 25108-32-1

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

  • Product code: SSC-120659
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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 25108-32-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

25108-32-1 / 1-(4-chlorophenyl)tetrazole

Standard CAS: 25108-32-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
25108-32-1
Multi CAS
No
Molecular Formula
C7H5ClN4
Molecular Weight
180.590000
Exact Mass
180.020274
SMILES
C1=CC(=CC=C1N2C=NN=N2)Cl
InChI
InChI=1S/C7H5ClN4/c8-6-1-3-7(4-2-6)12-5-9-10-11-12/h1-5H
InChIKey
FVXFXVKZUVWQGE-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
11
Rotatable bonds
1
H-bond acceptors
4
Molar refractivity
44.16
TPSA
43.6

LogP / Solubility

WLOGP
1.32
MLOGP
1.16
XLogP3
1.7
Consensus LogP
1.39
Log S (ESOL)
-2.4
Class (ESOL)
Moderately soluble
Log S (Ali)
-1.99
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.05
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)
-2.89

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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