CAS RN: 31962-35-3
1H-Pyrazole-4,5-dicarboxylic 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.20260321 | 100mg / 250mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS31962-35-3
- Purity/Analytical Methods: >99.0%
31962-35-3 / 1H-pyrazole-4,5-dicarboxylic acid
Basic Information
CAS
31962-35-3
Multi CAS
No
Molecular Formula
C5H4N2O4
Molecular Weight
156.100000
Exact Mass
156.017107
InChI
InChI=1S/C5H4N2O4/c8-4(9)2-1-6-7-3(2)5(10)11/h1H,(H,6,7)(H,8,9)(H,10,11)
InChIKey
IKTPUTARUKSCDG-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Aromatic heavy atom count
5
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
3
Molar refractivity
32.51
TPSA
103.28
LogP / Solubility
WLOGP
-0.19
MLOGP
-0.18
XLogP3
-0.4
Consensus LogP
-0.26
Log S (ESOL)
-0.89
Class (ESOL)
Very soluble
Log S (Ali)
-0.7
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.75
Class (SILICOS-IT)
Very 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)
-3.81
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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