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CAS 351995-88-5 Methyl 4-(1-Tetrazolyl)benzoate molecular structure lightbox
CAS RN: 351995-88-5

Methyl 4-(1-Tetrazolyl)benzoate

  • Product code: SSC-142051
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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 351995-88-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

351995-88-5 / methyl 4-(tetrazol-1-yl)benzoate

Standard CAS: 351995-88-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
351995-88-5
Multi CAS
No
Molecular Formula
C9H8N4O2
Molecular Weight
204.190000
Exact Mass
204.064726
InChI
InChI=1S/C9H8N4O2/c1-15-9(14)7-2-4-8(5-3-7)13-6-10-11-12-13/h2-6H,1H3
InChIKey
WVKMMKCGEPFVTQ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
11
Fraction Csp3
0.11
Rotatable bonds
2
H-bond acceptors
6
Molar refractivity
50.49
TPSA
69.9

LogP / Solubility

WLOGP
0.45
MLOGP
0.4
XLogP3
0.9
Consensus LogP
0.58
Log S (ESOL)
-1.8
Class (ESOL)
Soluble
Log S (Ali)
-1.56
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.6
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)
-3.65

Drug-likeness / Medicinal Chemistry

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

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