CAS RN: 21743-75-9
1H-Tetrazole-5-acetic Acid
Product Availability
Choose a grade to view its available package options.
8 package records7 with current stock2 grade groups
- Product code: SSC-105013
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: 25g
- Available purity: ≥95%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 25g | ≥95% | 0 Out of Stock | Hong Kong | Inquiry |
21743-75-9 / 2-(2H-tetrazol-5-yl)acetic acid
Basic Information
CAS
21743-75-9
Multi CAS
No
Molecular Formula
C3H4N4O2
Molecular Weight
128.090000
Exact Mass
128.033425
SMILES
C(C1=NNN=N1)C(=O)O
InChI
InChI=1S/C3H4N4O2/c8-3(9)1-2-4-6-7-5-2/h1H2,(H,8,9)(H,4,5,6,7)
InChIKey
JUNAPQMUUHSYOV-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
9
Aromatic heavy atom count
5
Fraction Csp3
0.33
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
2
Molar refractivity
25.52
TPSA
91.76
LogP / Solubility
WLOGP
-1.17
MLOGP
-1.04
XLogP3
-1
Consensus LogP
-1.07
Log S (ESOL)
-0.17
Class (ESOL)
Very soluble
Log S (Ali)
0.24
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
0.24
Class (SILICOS-IT)
Highly soluble
ADME
GI absorption
Low
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)
-4.33
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
