CAS RN: 917562-23-3
1-tert-Butyl 7-methyl 1H-indole-1,7-dicarboxylate
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.20251113 | 250mg / 1g / 5g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS917562-23-3
- Purity/Analytical Methods: >99.0%
917562-23-3 / 1-O-tert-butyl 7-O-methyl indole-1,7-dicarboxylate
Basic Information
CAS
917562-23-3
Multi CAS
No
Molecular Formula
C15H17NO4
Molecular Weight
275.300000
Exact Mass
275.115758
InChI
InChI=1S/C15H17NO4/c1-15(2,3)20-14(18)16-9-8-10-6-5-7-11(12(10)16)13(17)19-4/h5-9H,1-4H3
InChIKey
LFIINZZVXMUCCL-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
20
Aromatic heavy atom count
9
Fraction Csp3
0.33
Rotatable bonds
1
H-bond acceptors
5
Molar refractivity
74.91
TPSA
57.53
LogP / Solubility
WLOGP
3.21
MLOGP
2.83
XLogP3
3.1
Consensus LogP
3.05
Log S (ESOL)
-3.84
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.14
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.23
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
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.12
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
1.5
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