CAS RN: 889676-34-0
6-CYANO-1H-INDOLE, N-BOC PROTECTED 98
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.20260401 | 1g / 5g / 25g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS889676-34-0
- Purity/Analytical Methods: >99.0%
889676-34-0 / tert-butyl 6-cyanoindole-1-carboxylate
Basic Information
CAS
889676-34-0
Multi CAS
No
Molecular Formula
C14H14N2O2
Molecular Weight
242.270000
Exact Mass
242.105528
InChI
InChI=1S/C14H14N2O2/c1-14(2,3)18-13(17)16-7-6-11-5-4-10(9-15)8-12(11)16/h4-8H,1-3H3
InChIKey
DCIWEPSVBLICSS-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
18
Aromatic heavy atom count
9
Fraction Csp3
0.29
Rotatable bonds
2
H-bond acceptors
4
Molar refractivity
68.29
TPSA
55.02
LogP / Solubility
WLOGP
3.3
MLOGP
2.91
XLogP3
3
Consensus LogP
3.07
Log S (ESOL)
-3.79
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.93
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.97
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.86
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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