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CAS 87443-64-9 1-CYCLOHEXYL-1,2,3,4-TETRAHYDRO-ISOQUINOLINE molecular structure lightbox
CAS RN: 87443-64-9

1-CYCLOHEXYL-1,2,3,4-TETRAHYDRO-ISOQUINOLINE

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250420 100mg / 250mg / 1g Out of stock 30 business days Inquiry
  • Product code: starshine_CAS87443-64-9
  • Purity/Analytical Methods: >99.0%
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87443-64-9 / 1-cyclohexyl-1,2,3,4-tetrahydroisoquinoline

Standard CAS: 87443-64-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
87443-64-9
Multi CAS
No
Molecular Formula
C15H21N
Molecular Weight
215.330000
Exact Mass
215.167400
InChI
InChI=1S/C15H21N/c1-2-7-13(8-3-1)15-14-9-5-4-6-12(14)10-11-16-15/h4-6,9,13,15-16H,1-3,7-8,10-11H2
InChIKey
OMYOTQLWOQIIKW-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
6
Fraction Csp3
0.6
Rotatable bonds
1
H-bond acceptors
1
H-bond donors
1
Molar refractivity
67.46
TPSA
12.03

LogP / Solubility

WLOGP
3.45
MLOGP
3.04
XLogP3
3.7
Consensus LogP
3.4
Log S (ESOL)
-3.56
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.82
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.05
Class (SILICOS-IT)
Slightly 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)
-1.58

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2

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