CAS RN: 933474-39-6
1-Boc-6-benzyloxyindole
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.20260427 | 5g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS933474-39-6
- Purity/Analytical Methods: >99.0%
933474-39-6 / tert-butyl 6-phenylmethoxyindole-1-carboxylate
Basic Information
CAS
933474-39-6
Multi CAS
No
Molecular Formula
C20H21NO3
Molecular Weight
323.400000
Exact Mass
323.152144
InChI
InChI=1S/C20H21NO3/c1-20(2,3)24-19(22)21-12-11-16-9-10-17(13-18(16)21)23-14-15-7-5-4-6-8-15/h4-13H,14H2,1-3H3
InChIKey
SRPBCFXYURDQFS-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
24
Aromatic heavy atom count
15
Fraction Csp3
0.25
Rotatable bonds
3
H-bond acceptors
4
Molar refractivity
94.34
TPSA
40.46
LogP / Solubility
WLOGP
5
MLOGP
4.42
XLogP3
4.7
Consensus LogP
4.71
Log S (ESOL)
-5.26
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.82
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.27
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.14
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5
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