CAS RN: 109216-61-7
2H-Indazole-3-carboxylic acid,2-methyl-, methyl ester
- Product code: SSC-010291
Historical Factory Record
Historical Supply Reference
This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.
- Pack sizes on record: 1g
- Available purity: ＞97%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 1g | ＞97% | 0 Out of Stock | Hong Kong | Inquiry |
109216-61-7 / methyl 2-methylindazole-3-carboxylate
Methyl 2-methyl-2H-indazole-3-carboxylate | Methyl 2-methylindazole-3-carboxylate | 2H-Indazole-3-carboxylic acid,2-methyl-, methyl ester
Basic Information
CAS
109216-61-7
Multi CAS
No
Molecular Formula
C10H10N2O2
Molecular Weight
190.200000
Exact Mass
190.074228
SMILES
CN1C(=C2C=CC=CC2=N1)C(=O)OC
InChI
InChI=1S/C10H10N2O2/c1-12-9(10(13)14-2)7-5-3-4-6-8(7)11-12/h3-6H,1-2H3
InChIKey
HNLOSGZWYFSRAU-UHFFFAOYSA-N
Synonyms
Methyl 2-methyl-2H-indazole-3-carboxylate
Methyl 2-methylindazole-3-carboxylate
2H-Indazole-3-carboxylic acid,2-methyl-, methyl ester
MFCD17215403
SCHEMBL1562180
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
9
Fraction Csp3
0.2
Rotatable bonds
1
H-bond acceptors
4
Molar refractivity
52.05
TPSA
44.12
LogP / Solubility
WLOGP
1.36
MLOGP
1.2
XLogP3
1.8
Consensus LogP
1.45
Log S (ESOL)
-2.29
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.1
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.15
Class (SILICOS-IT)
Moderately 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)
-2.91
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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