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CAS 841253-81-4 2-(1-(2-(4-chlorophenyl)-5-Methylpyrazolo[1,5-a]pyriMidin-7-yl)piperidin-2-yl)ethanol molecular structure lightbox
CAS RN: 841253-81-4

2-(1-(2-(4-chlorophenyl)-5-Methylpyrazolo[1,5-a]pyriMidin-7-yl)piperidin-2-yl)ethanol

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260130 100mg / 250mg / 1g Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS841253-81-4
  • Purity/Analytical Methods: >99.0%
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841253-81-4 / 2-[1-[2-(4-chlorophenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]piperidin-2-yl]ethanol

Standard CAS: 841253-81-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
841253-81-4
Multi CAS
No
Molecular Formula
C20H23CLN4O
Molecular Weight
370.900000
Exact Mass
370.156039
InChI
InChI=1S/C20H23ClN4O/c1-14-12-20(24-10-3-2-4-17(24)9-11-26)25-19(22-14)13-18(23-25)15-5-7-16(21)8-6-15/h5-8,12-13,17,26H,2-4,9-11H2,1H3
InChIKey
TZWSGOPCLUTFBZ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
26
Aromatic heavy atom count
15
Fraction Csp3
0.4
Rotatable bonds
4
H-bond acceptors
5
H-bond donors
1
Molar refractivity
104.86
TPSA
53.66

LogP / Solubility

WLOGP
4.1
MLOGP
3.63
XLogP3
4.1
Consensus LogP
3.94
Log S (ESOL)
-4.89
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.56
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.95
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.07

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3.5

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