CAS RN: 894779-32-9
Ethyl 7-Methoxy-1-Methyl-1H-indazole-5-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.20260509 | 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS894779-32-9
- Purity/Analytical Methods: >99.0%
894779-32-9 / ethyl 7-methoxy-1-methylindazole-5-carboxylate
Basic Information
CAS
894779-32-9
Multi CAS
No
Molecular Formula
C12H14N2O3
Molecular Weight
234.250000
Exact Mass
234.100442
InChI
InChI=1S/C12H14N2O3/c1-4-17-12(15)8-5-9-7-13-14(2)11(9)10(6-8)16-3/h5-7H,4H2,1-3H3
InChIKey
AWSUBQSQVXTTAX-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
17
Aromatic heavy atom count
9
Fraction Csp3
0.33
Rotatable bonds
3
H-bond acceptors
5
Molar refractivity
63.22
TPSA
53.35
LogP / Solubility
WLOGP
1.76
MLOGP
1.55
XLogP3
2.2
Consensus LogP
1.84
Log S (ESOL)
-2.59
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.75
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.9
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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