CAS RN: 1391291-50-1
2-methyl-2,3-dihydro-1H-indole-6-carbonitrile
Product Availability
Choose a grade to view its available package options.
6 package records4 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20260622 | 100mg | In stock | Shanghai, Tianjin | Inquiry | |
| Batchno.20250914 | 1g | In stock | Shenzhen, Tianjin, Chengdu | Inquiry | |
| Batchno.20250424 | 250mg | In stock | Shanghai, Shenzhen | Inquiry | |
| Batchno.20260120 | 50mg | In stock | Shanghai | Inquiry | |
| Batchno.20250105 | 50mg / 100mg / 250mg / 1g / 5g | Out of stock | 8-10 business days | Inquiry | |
| Batchno.20250101 | 5g | Out of stock | Inquiry |
- Product code: starshine_CAS1391291-50-1
- Purity/Analytical Methods: >99.0%
1391291-50-1 / 2-methyl-2,3-dihydro-1H-indole-6-carbonitrile
Basic Information
CAS
1391291-50-1
Multi CAS
No
Molecular Formula
C10H10N2
Molecular Weight
158.200000
Exact Mass
158.084398
SMILES
CC1CC2=C(N1)C=C(C=C2)C#N
InChI
InChI=1S/C10H10N2/c1-7-4-9-3-2-8(6-11)5-10(9)12-7/h2-3,5,7,12H,4H2,1H3
InChIKey
XJXHWBHPBVIKGK-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.3
H-bond acceptors
2
H-bond donors
1
Molar refractivity
47.95
TPSA
35.82
LogP / Solubility
WLOGP
1.91
MLOGP
1.68
XLogP3
2.1
Consensus LogP
1.9
Log S (ESOL)
-2.4
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.24
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.28
Class (SILICOS-IT)
Moderately soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.33
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2
Safety & Transport
Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
H312 (100%): Harmful in contact with skin [Warning Acute toxicity, dermal]
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
H332 (100%): Harmful if inhaled [Warning Acute toxicity, inhalation]
Precautionary Statement Codes
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
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