CAS RN: 75773-99-8
1H-TETRAZOLE-5-CARBOXYLIC ACID
Product Availability
Choose a grade to view its available package options.
4 package records4 with current stock1 grade group
- Product code: SSC-185210
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, 1g, 5g
- 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.
75773-99-8 / 2H-tetrazole-5-carboxylic acid
Basic Information
CAS
75773-99-8
Multi CAS
No
Molecular Formula
C2H2N4O2
Molecular Weight
114.060000
Exact Mass
114.017775
InChI
InChI=1S/C2H2N4O2/c7-2(8)1-3-5-6-4-1/h(H,7,8)(H,3,4,5,6)
InChIKey
IKNZBNHVVQIRTO-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
8
Aromatic heavy atom count
5
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
2
Molar refractivity
21.14
TPSA
91.76
LogP / Solubility
WLOGP
-1.1
MLOGP
-0.98
XLogP3
-0.7
Consensus LogP
-0.93
Log S (ESOL)
-0.25
Class (ESOL)
Very soluble
Log S (Ali)
0.3
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
0.39
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)
-4.2
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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