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CAS 893770-65-5 [2-(1H-Tetrazol-5-yl)-phenoxy]-acetic acid molecular structure lightbox
CAS RN: 893770-65-5

[2-(1H-Tetrazol-5-yl)-phenoxy]-acetic acid

  • Product code: SSC-201344
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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, 5g
  • 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 893770-65-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry
5g ≥95% 0 Out of Stock Shenzhen Inquiry

893770-65-5 / 2-[2-(2H-tetrazol-5-yl)phenoxy]acetic acid

Standard CAS: 893770-65-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
893770-65-5
Multi CAS
No
Molecular Formula
C9H8N4O3
Molecular Weight
220.180000
Exact Mass
220.059640
InChI
InChI=1S/C9H8N4O3/c14-8(15)5-16-7-4-2-1-3-6(7)9-10-12-13-11-9/h1-4H,5H2,(H,14,15)(H,10,11,12,13)
InChIKey
ADFOLGGCCGYZDB-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
11
Fraction Csp3
0.11
Rotatable bonds
4
H-bond acceptors
5
H-bond donors
2
Molar refractivity
52.74
TPSA
100.99

LogP / Solubility

WLOGP
0.33
MLOGP
0.29
XLogP3
0.7
Consensus LogP
0.44
Log S (ESOL)
-1.66
Class (ESOL)
Soluble
Log S (Ali)
-1.6
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.85
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)
-3.83

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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