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CAS 1588441-25-1 2,3-Dihydro-1H-spiro[isoquinoline-4,4′-piperidine] dihydrochloride molecular structure lightbox
CAS RN: 1588441-25-1

2,3-Dihydro-1H-spiro[isoquinoline-4,4′-piperidine] dihydrochloride

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2 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250426 250mg Out of stock Inquiry
Batchno.20260511 250mg / 1g Out of stock 15 business days Inquiry
  • Product code: starshine_CAS1588441-25-1
  • Purity/Analytical Methods: >99.0%
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1588441-25-1 / spiro[2,3-dihydro-1H-isoquinoline-4,4'-piperidine];dihydrochloride

Standard CAS: 1588441-25-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1588441-25-1
Multi CAS
No
Molecular Formula
C13H20Cl2N2
Molecular Weight
275.210000
Exact Mass
274.100354
SMILES
C1CNCCC12CNCC3=CC=CC=C23.Cl.Cl
InChI
InChI=1S/C13H18N2.2ClH/c1-2-4-12-11(3-1)9-15-10-13(12)5-7-14-8-6-13;;/h1-4,14-15H,5-10H2;2*1H
InChIKey
HTMHZEDALOUSBU-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
17
Aromatic heavy atom count
6
Fraction Csp3
0.54
H-bond acceptors
2
H-bond donors
2
Molar refractivity
76.43
TPSA
24.06

LogP / Solubility

WLOGP
2.25
MLOGP
1.99
XLogP3
2.25
Consensus LogP
2.16
Log S (ESOL)
-3.23
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.44
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.32
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)
-2.8

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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