CAS RN: 1159511-40-6
2-Methyl-2H-indazol-4-ol
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.20260119 | 100mg / 250mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1159511-40-6
- Purity/Analytical Methods: >99.0%
1159511-40-6 / 2-methylindazol-4-ol
2-Methyl-2H-indazol-4-ol | 2-methylindazol-4-ol | MFCD12028571
Basic Information
CAS
1159511-40-6
Multi CAS
No
Molecular Formula
C8H8N2O
Molecular Weight
148.160000
Exact Mass
148.063663
SMILES
CN1C=C2C(=N1)C=CC=C2O
InChI
InChI=1S/C8H8N2O/c1-10-5-6-7(9-10)3-2-4-8(6)11/h2-5,11H,1H3
InChIKey
LZXZFBYBWCVEQR-UHFFFAOYSA-N
Synonyms
2-Methyl-2H-indazol-4-ol
2-methylindazol-4-ol
MFCD12028571
4-Hydroxy-2-methyl-2H-indazole
SCHEMBL7962522
Computed Properties
Structural Parameters
Heavy atom count
11
Aromatic heavy atom count
9
Fraction Csp3
0.12
H-bond acceptors
3
H-bond donors
1
Molar refractivity
42.38
TPSA
38.05
LogP / Solubility
WLOGP
1.28
MLOGP
1.12
XLogP3
1.2
Consensus LogP
1.2
Log S (ESOL)
-2.17
Class (ESOL)
Moderately soluble
Log S (Ali)
-1.7
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.68
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)
-2.72
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
Safety & Transport
Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
