CAS RN: 318496-66-1
3-Methoxymethyl-1H-pyrazole-4-carboxylic acid methyl ester
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.20250503 | 250mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS318496-66-1
- Purity/Analytical Methods: >99.0%
318496-66-1 / methyl 5-(methoxymethyl)-1H-pyrazole-4-carboxylate
Basic Information
CAS
318496-66-1
Multi CAS
No
Molecular Formula
C7H10N2O3
Molecular Weight
170.170000
Exact Mass
170.069142
InChI
InChI=1S/C7H10N2O3/c1-11-4-6-5(3-8-9-6)7(10)12-2/h3H,4H2,1-2H3,(H,8,9)
InChIKey
HDKYHCGUBVWJHC-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
5
Fraction Csp3
0.43
Rotatable bonds
3
H-bond acceptors
4
H-bond donors
1
Molar refractivity
40.64
TPSA
64.21
LogP / Solubility
WLOGP
0.34
MLOGP
0.3
XLogP3
-0.2
Consensus LogP
0.15
Log S (ESOL)
-1.22
Class (ESOL)
Soluble
Log S (Ali)
-1.2
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.41
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)
-3.51
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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