CAS RN: 68549-22-4
2,3-DIHYDRO-6-METHOXY-1H-INDENE-1-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.20260227 | 100mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS68549-22-4
- Purity/Analytical Methods: >99.0%
68549-22-4 / 6-methoxy-2,3-dihydro-1H-indene-1-carbonitrile
Basic Information
CAS
68549-22-4
Multi CAS
No
Molecular Formula
C11H11NO
Molecular Weight
173.210000
Exact Mass
173.084064
InChI
InChI=1S/C11H11NO/c1-13-10-5-4-8-2-3-9(7-12)11(8)6-10/h4-6,9H,2-3H2,1H3
InChIKey
MSRGJIRQQSRJEQ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.36
Rotatable bonds
1
H-bond acceptors
2
Molar refractivity
49.67
TPSA
33.02
LogP / Solubility
WLOGP
2.25
MLOGP
1.98
XLogP3
2
Consensus LogP
2.08
Log S (ESOL)
-2.61
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.6
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.77
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)
-2.18
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2
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