[email protected]
CAS 1167056-69-0 6-Cyano-5-Methyl 1H-indole molecular structure lightbox
CAS RN: 1167056-69-0

6-Cyano-5-Methyl 1H-indole

Product Availability

Choose a grade to view its available package options.

1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260426 100mg / 250mg Out of stock 1 business days Inquiry
  • Product code: starshine_CAS1167056-69-0
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

1167056-69-0 / 5-methyl-1H-indole-6-carbonitrile

5-methyl-1H-indole-6-carbonitrile | 1H-Indole-6-carbonitrile, 5-methyl- | 6-Cyano-5-methyl 1H-indole

Standard CAS: 1167056-69-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1167056-69-0
Multi CAS
No
Molecular Formula
C10H8N2
Molecular Weight
156.180000
Exact Mass
156.068748
SMILES
CC1=CC2=C(C=C1C#N)NC=C2
InChI
InChI=1S/C10H8N2/c1-7-4-8-2-3-12-10(8)5-9(7)6-11/h2-5,12H,1H3
InChIKey
IIURRQNBSJFQBS-UHFFFAOYSA-N
Synonyms
5-methyl-1H-indole-6-carbonitrile 1H-Indole-6-carbonitrile, 5-methyl- 6-Cyano-5-methyl 1H-indole MFCD12405186 SCHEMBL17429714

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
2.1
Consensus LogP
2.17
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