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CAS 1352542-15-4 (1-Ethyl-1H-indazol-3-yl)-methanol molecular structure lightbox
CAS RN: 1352542-15-4

(1-Ethyl-1H-indazol-3-yl)-methanol

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251101 100mg Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS1352542-15-4
  • Purity/Analytical Methods: >99.0%
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1352542-15-4 / (1-ethylindazol-3-yl)methanol

Standard CAS: 1352542-15-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1352542-15-4
Multi CAS
No
Molecular Formula
C10H12N2O
Molecular Weight
176.210000
Exact Mass
176.094963
SMILES
CCN1C2=CC=CC=C2C(=N1)CO
InChI
InChI=1S/C10H12N2O/c1-2-12-10-6-4-3-5-8(10)9(7-13)11-12/h3-6,13H,2,7H2,1H3
InChIKey
GATZTXTUWMDEMU-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
9
Fraction Csp3
0.3
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
51.33
TPSA
38.05

LogP / Solubility

WLOGP
1.55
MLOGP
1.36
XLogP3
1
Consensus LogP
1.3
Log S (ESOL)
-2.29
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.12
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.33
Class (SILICOS-IT)
Moderately 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)
-2.7

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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