CAS RN: 24662-37-1
3-CYANO-1-METHYLINDOLE
Product Availability
Choose a grade to view its available package options.
3 package records2 with current stock2 grade groups
- Product code: SSC-119588
Historical Factory Record
Historical Supply Reference
This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.
- Pack sizes on record: 5g
- Available purity: ＞97%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 5g | ＞97% | 0 Out of Stock | Shanghai | Inquiry |
24662-37-1 / 1-methylindole-3-carbonitrile
Basic Information
CAS
24662-37-1
Multi CAS
No
Molecular Formula
C10H8N2
Molecular Weight
156.180000
Exact Mass
156.068748
SMILES
CN1C=C(C2=CC=CC=C21)C#N
InChI
InChI=1S/C10H8N2/c1-12-7-8(6-11)9-4-2-3-5-10(9)12/h2-5,7H,1H3
InChIKey
FBAXZPMXGBNBPE-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
9
Fraction Csp3
0.1
H-bond acceptors
2
Molar refractivity
47.63
TPSA
28.72
LogP / Solubility
WLOGP
2.05
MLOGP
1.8
XLogP3
2
Consensus LogP
1.95
Log S (ESOL)
-2.65
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.32
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.38
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)
-2.22
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
-
![CAS 2466-42-4 [7S,(+)]-6,7,7a,8-Tetrahydro-7-methyl-5H-bis[1,3]benzodioxolo[6,5,4-de:5′,6′-g]quinoline molecular structure](data:image/svg+xml,%3Csvg%20xmlns='http://www.w3.org/2000/svg'%20viewBox='0%200%200%200'%3E%3C/svg%3E)
[7S,(+)]-6,7,7a,8-Tetrahydro-7-methyl-5H-bis[1,3]benzodioxolo[6,5,4-de:5′,6′-g]quinoline
- CAS RN: 2466-42-4
- Product Code: starshine_CAS2466-42-4
- Purity/Analytical method: >99.0%
-
Carbamic acid, (2,6-dioxo-3-piperidinyl)-, phenylmethyl ester (9CI)
- CAS RN: 24666-55-5
- Product Code: SSC-119589
-
-
1,4,6-TRIMETHYL-2-OXO-1,2-DIHYDRO-PYRIDINE-3-CARBOXYLIC ACID
- CAS RN: 24667-08-1
- Product Code: SSC-119591
-
-
![CAS 2466-42-4 [7S,(+)]-6,7,7a,8-Tetrahydro-7-methyl-5H-bis[1,3]benzodioxolo[6,5,4-de:5′,6′-g]quinoline molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/2466-42-4.gif)
