CAS RN: 138199-51-6
2-Amino-2-(2H-tetrazol-5-yl)acetic acid
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20251009 | 100mg / 250mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: LINA905391
138199-51-6 / 2-amino-2-(2H-tetrazol-5-yl)acetic acid
Basic Information
CAS
138199-51-6
Multi CAS
No
Molecular Formula
C3H5N5O2
Molecular Weight
143.100000
Exact Mass
143.044324
SMILES
C1(=NNN=N1)C(C(=O)O)N
InChI
InChI=1S/C3H5N5O2/c4-1(3(9)10)2-5-7-8-6-2/h1H,4H2,(H,9,10)(H,5,6,7,8)
InChIKey
UKBRUIZWQZHXFL-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
10
Aromatic heavy atom count
5
Fraction Csp3
0.33
Rotatable bonds
2
H-bond acceptors
5
H-bond donors
3
Molar refractivity
28.74
TPSA
117.78
LogP / Solubility
WLOGP
-1.72
MLOGP
-1.52
XLogP3
-4.1
Consensus LogP
-2.45
Log S (ESOL)
0.12
Class (ESOL)
Highly soluble
Log S (Ali)
0.51
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
0.59
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)
-4.81
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2
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