CAS RN: 15085-20-8
2,3-Dihydro-7-methyl-1H-indene-4-carbonitrile
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20251213 | 100mg / 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS15085-20-8
- Purity/Analytical Methods: >99.0%
15085-20-8 / 7-methyl-2,3-dihydro-1H-indene-4-carbonitrile
Basic Information
CAS
15085-20-8
Multi CAS
No
Molecular Formula
C11H11N
Molecular Weight
157.210000
Exact Mass
157.089149
SMILES
CC1=C2CCCC2=C(C=C1)C#N
InChI
InChI=1S/C11H11N/c1-8-5-6-9(7-12)11-4-2-3-10(8)11/h5-6H,2-4H2,1H3
InChIKey
DGRBGVCXMGQYPE-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.36
H-bond acceptors
1
Molar refractivity
47.92
TPSA
23.79
LogP / Solubility
WLOGP
2.36
MLOGP
2.07
XLogP3
2.8
Consensus LogP
2.41
Log S (ESOL)
-2.67
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.55
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.64
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)
-2.01
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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