[email protected]
CAS 1541530-91-9 4-Methyl-1H-indole-2-carbonitrile molecular structure lightbox
CAS RN: 1541530-91-9

4-Methyl-1H-indole-2-carbonitrile

Product Availability

Choose a grade to view its available package options.

1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260520 100mg / 250mg / 1g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS1541530-91-9
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

1541530-91-9 / 4-methyl-1H-indole-2-carbonitrile

Standard CAS: 1541530-91-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1541530-91-9
Multi CAS
No
Molecular Formula
C10H8N2
Molecular Weight
156.180000
Exact Mass
156.068748
SMILES
CC1=C2C=C(NC2=CC=C1)C#N
InChI
InChI=1S/C10H8N2/c1-7-3-2-4-10-9(7)5-8(6-11)12-10/h2-5,12H,1H3
InChIKey
TZKNXOZPVUFKAE-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
9
Fraction Csp3
0.1
H-bond acceptors
1
H-bond donors
1
Molar refractivity
47.75
TPSA
39.58

LogP / Solubility

WLOGP
2.35
MLOGP
2.06
XLogP3
2.5
Consensus LogP
2.3
Log S (ESOL)
-2.84
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.54
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.62
Class (SILICOS-IT)
Moderately 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)
-2.01

Drug-likeness / Medicinal Chemistry

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

Customers Also Viewed

Get In Touch

Contact Us