CAS RN: 1234616-63-7
2,3-DIMETHYL-5-HYDROXYMETHYL-2H-INDAZOLE
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.20250423 | 1g | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS1234616-63-7
- Purity/Analytical Methods: >99.0%
1234616-63-7 / (2,3-dimethylindazol-5-yl)methanol
Basic Information
CAS
1234616-63-7
Multi CAS
No
Molecular Formula
C10H12N2O
Molecular Weight
176.210000
Exact Mass
176.094963
SMILES
CC1=C2C=C(C=CC2=NN1C)CO
InChI
InChI=1S/C10H12N2O/c1-7-9-5-8(6-13)3-4-10(9)11-12(7)2/h3-5,13H,6H2,1-2H3
InChIKey
RDISLGCWUMWSQR-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
9
Fraction Csp3
0.3
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
51.37
TPSA
38.05
LogP / Solubility
WLOGP
1.37
MLOGP
1.21
XLogP3
1.1
Consensus LogP
1.23
Log S (ESOL)
-2.24
Class (ESOL)
Moderately soluble
Log S (Ali)
-2
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.07
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)
-2.82
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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