CAS RN: 905307-07-5
1-vinyl-1H-pyrazole-4-carboxylic acid(SALTDATA: FREE)
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.20250922 | 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS905307-07-5
- Purity/Analytical Methods: >99.0%
905307-07-5 / 1-ethenylpyrazole-4-carboxylic acid
Basic Information
CAS
905307-07-5
Multi CAS
No
Molecular Formula
C6H6N2O2
Molecular Weight
138.120000
Exact Mass
138.042927
InChI
InChI=1S/C6H6N2O2/c1-2-8-4-5(3-7-8)6(9)10/h2-4H,1H2,(H,9,10)
InChIKey
NALOXIKNICPHNW-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
10
Aromatic heavy atom count
5
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
35.57
TPSA
55.12
LogP / Solubility
WLOGP
0.68
MLOGP
0.59
XLogP3
0.3
Consensus LogP
0.52
Log S (ESOL)
-1.36
Class (ESOL)
Soluble
Log S (Ali)
-1.18
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.36
Class (SILICOS-IT)
Soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.08
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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