[email protected]
CAS 260-32-2 Benzo[g]isoquinoline molecular structure lightbox
CAS RN: 260-32-2

Benzo[g]isoquinoline

Product Availability

Choose a grade to view its available package options.

1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260502 1g Out of stock 8-10 business days Inquiry
GET A QUOTE

260-32-2 / benzo[g]isoquinoline

Benzo[g]isoquinoline | Benz(g)isoquinoline | Benz[g]isoquinoline

Standard CAS: 260-32-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
260-32-2
Multi CAS
No
Molecular Formula
C13H9N
Molecular Weight
179.220000
Exact Mass
179.073499
SMILES
C1=CC=C2C=C3C=NC=CC3=CC2=C1
InChI
InChI=1S/C13H9N/c1-2-4-11-8-13-9-14-6-5-12(13)7-10(11)3-1/h1-9H
InChIKey
JWMUHTIFNGYNFA-UHFFFAOYSA-N
Synonyms
Benzo[g]isoquinoline Benz(g)isoquinoline Benz[g]isoquinoline benzo[g]isochinolin SCHEMBL445029

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
14
H-bond acceptors
1
Molar refractivity
59.25
TPSA
12.89

LogP / Solubility

WLOGP
3.39
MLOGP
2.98
XLogP3
3.1
Consensus LogP
3.16
Log S (ESOL)
-3.83
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.48
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.64
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.41

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

Customers Also Viewed

Get In Touch

Contact Us