CAS RN: 924911-13-7

2-(1-Methyl-1H-pyrazol-5-yl)ethanol

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251113 100mg / 250mg / 1g Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS924911-13-7
  • Purity/Analytical Methods: >99.0%
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924911-13-7 / 2-(2-methylpyrazol-3-yl)ethanol

Standard CAS: 924911-13-7 Multi CAS: No

Basic Information

CAS
924911-13-7
Multi CAS
No
Molecular Formula
C6H10N2O
Molecular Weight
126.160000
Exact Mass
126.079313
InChI
InChI=1S/C6H10N2O/c1-8-6(3-5-9)2-4-7-8/h2,4,9H,3,5H2,1H3
InChIKey
JOVMMHAXQLTITC-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
9
Aromatic heavy atom count
5
Fraction Csp3
0.5
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
34
TPSA
38.05

LogP / Solubility

WLOGP
-0.05
MLOGP
-0.05
XLogP3
-0.2
Consensus LogP
-0.1
Log S (ESOL)
-0.87
Class (ESOL)
Very soluble
Log S (Ali)
-0.56
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.68
Class (SILICOS-IT)
Very 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)
-3.52

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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