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CAS 1301215-20-2 1-isopropyl-1,4-dihydrospiro[indazole-5,4′-piperidin]-7(6H)-onehydrochloride molecular structure lightbox
CAS RN: 1301215-20-2

1-isopropyl-1,4-dihydrospiro[indazole-5,4′-piperidin]-7(6H)-onehydrochloride

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250516 100mg In stock Shanghai Inquiry
  • Product code: starshine_CAS1301215-20-2
  • Purity/Analytical Methods: >99.0%
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1301215-20-2 / 1-propan-2-ylspiro[4,6-dihydroindazole-5,4'-piperidine]-7-one;hydrochloride

Standard CAS: 1301215-20-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1301215-20-2
Multi CAS
No
Molecular Formula
C14H22ClN3O
Molecular Weight
283.800000
Exact Mass
283.145140
SMILES
CC(C)N1C2=C(CC3(CCNCC3)CC2=O)C=N1.Cl
InChI
InChI=1S/C14H21N3O.ClH/c1-10(2)17-13-11(9-16-17)7-14(8-12(13)18)3-5-15-6-4-14;/h9-10,15H,3-8H2,1-2H3;1H
InChIKey
TVRSEGWKWMCBJY-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
19
Aromatic heavy atom count
5
Fraction Csp3
0.71
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
1
Molar refractivity
77.05
TPSA
46.92

LogP / Solubility

WLOGP
2.38
MLOGP
2.11
XLogP3
2.38
Consensus LogP
2.29
Log S (ESOL)
-3.23
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.61
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.6
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.76

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2.5

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