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CAS 19571-30-3 4-PHENYLISOQUINOLINE molecular structure lightbox
CAS RN: 19571-30-3

4-PHENYLISOQUINOLINE

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250710 100mg / 1g Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS19571-30-3
  • Purity/Analytical Methods: >99.0%
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19571-30-3 / 4-phenylisoquinoline

Standard CAS: 19571-30-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
19571-30-3
Multi CAS
No
Molecular Formula
C15H11N
Molecular Weight
205.250000
Exact Mass
205.089149
SMILES
C1=CC=C(C=C1)C2=CN=CC3=CC=CC=C32
InChI
InChI=1S/C15H11N/c1-2-6-12(7-3-1)15-11-16-10-13-8-4-5-9-14(13)15/h1-11H
InChIKey
MVTFMJPVPXNIFC-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
16
Rotatable bonds
1
H-bond acceptors
1
Molar refractivity
67.18
TPSA
12.89

LogP / Solubility

WLOGP
3.9
MLOGP
3.43
XLogP3
3.7
Consensus LogP
3.68
Log S (ESOL)
-4.24
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.06
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.35
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.2

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5

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