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CAS 395104-30-0 3-[3-[2-(1-Piperidinyl)ethoxy]phenyl]-5-(1H-1,2,4-triazol-5-yl)-1H-indazole molecular structure lightbox
CAS RN: 395104-30-0

3-[3-[2-(1-Piperidinyl)ethoxy]phenyl]-5-(1H-1,2,4-triazol-5-yl)-1H-indazole

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250625 2mg / 5mg Out of stock 15 business days Inquiry
  • Product code: starshine_CAS395104-30-0
  • Purity/Analytical Methods: >99.0%
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395104-30-0 / 3-[3-(2-piperidin-1-ylethoxy)phenyl]-5-(1H-1,2,4-triazol-5-yl)-1H-indazole

Standard CAS: 395104-30-0 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
395104-30-0
Multi CAS
Yes
Molecular Formula
C22H24N6O
Molecular Weight
388.500000
Exact Mass
388.201159
InChI
InChI=1S/C22H24N6O/c1-2-9-28(10-3-1)11-12-29-18-6-4-5-16(13-18)21-19-14-17(22-23-15-24-27-22)7-8-20(19)25-26-21/h4-8,13-15H,1-3,9-12H2,(H,25,26)(H,23,24,27)
InChIKey
XDJCLCLBSGGNKS-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
29
Aromatic heavy atom count
20
Fraction Csp3
0.32
Rotatable bonds
6
H-bond acceptors
5
H-bond donors
2
Molar refractivity
112.69
TPSA
82.72

LogP / Solubility

WLOGP
3.88
MLOGP
3.44
XLogP3
3.8
Consensus LogP
3.71
Log S (ESOL)
-4.81
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.55
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.13
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.34

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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