CAS RN: 914348-93-9
1-Boc-5-cyano-3-formylindole
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.20250816 | 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS914348-93-9
- Purity/Analytical Methods: >99.0%
914348-93-9 / tert-butyl 5-cyano-3-formylindole-1-carboxylate
Basic Information
CAS
914348-93-9
Multi CAS
No
Molecular Formula
C15H14N2O3
Molecular Weight
270.280000
Exact Mass
270.100442
InChI
InChI=1S/C15H14N2O3/c1-15(2,3)20-14(19)17-8-11(9-18)12-6-10(7-16)4-5-13(12)17/h4-6,8-9H,1-3H3
InChIKey
MLUMALLEGSYCHN-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
20
Aromatic heavy atom count
9
Fraction Csp3
0.27
Rotatable bonds
1
H-bond acceptors
5
Molar refractivity
73.67
TPSA
72.09
LogP / Solubility
WLOGP
3.11
MLOGP
2.74
XLogP3
2.5
Consensus LogP
2.78
Log S (ESOL)
-3.74
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.02
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.12
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.16
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5
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