CAS RN: 923283-30-1
Methyl 1-ethyl-4-nitro-1H-pyrazole-3-carboxylate
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.20250124 | 1g / 5g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS923283-30-1
- Purity/Analytical Methods: >99.0%
923283-30-1 / methyl 1-ethyl-4-nitropyrazole-3-carboxylate
Basic Information
CAS
923283-30-1
Multi CAS
Yes
Molecular Formula
C7H9N3O4
Molecular Weight
199.160000
Exact Mass
199.059306
InChI
InChI=1S/C7H9N3O4/c1-3-9-4-5(10(12)13)6(8-9)7(11)14-2/h4H,3H2,1-2H3
InChIKey
HCXMLRVXGCCXIP-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
5
Fraction Csp3
0.43
Rotatable bonds
3
H-bond acceptors
6
Molar refractivity
45.89
TPSA
87.26
LogP / Solubility
WLOGP
0.6
MLOGP
0.53
XLogP3
0.5
Consensus LogP
0.54
Log S (ESOL)
-1.52
Class (ESOL)
Soluble
Log S (Ali)
-1.62
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.81
Class (SILICOS-IT)
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)
-3.51
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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