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CAS 67648-50-4 1H-Tetrazole, 5-chloro-1-methyl- molecular structure lightbox
CAS RN: 67648-50-4

1H-Tetrazole, 5-chloro-1-methyl-

  • Product code: SSC-177382
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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: 0.25g
  • 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 67648-50-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥95% 0 Out of Stock Hong Kong Inquiry

67648-50-4 / 5-chloro-1-methyltetrazole

Standard CAS: 67648-50-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
67648-50-4
Multi CAS
No
Molecular Formula
C2H3CLN4
Molecular Weight
118.520000
Exact Mass
118.004624
InChI
InChI=1S/C2H3ClN4/c1-7-2(3)4-5-6-7/h1H3
InChIKey
DZHZPUBHGIUESP-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
7
Aromatic heavy atom count
5
Fraction Csp3
0.5
H-bond acceptors
4
Molar refractivity
23.81
TPSA
43.6

LogP / Solubility

WLOGP
-0.14
MLOGP
-0.13
XLogP3
0.5
Consensus LogP
0.08
Log S (ESOL)
-1.02
Class (ESOL)
Soluble
Log S (Ali)
-0.43
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.32
Class (SILICOS-IT)
Very 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)
-3.54

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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