CAS RN: 84639-06-5
ethyl 7-(benzyloxy)-1H-indole-2-carboxylate
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250416 | 100mg / 250mg / 500mg / 1g | Confirm by inquiry | Shanghai | Inquiry |
- Product code: starshine_CAS84639-06-5
- Purity/Analytical Methods: >99.0%
84639-06-5 / ethyl 7-phenylmethoxy-1H-indole-2-carboxylate
Basic Information
CAS
84639-06-5
Multi CAS
Yes
Molecular Formula
C18H17NO3
Molecular Weight
295.300000
Exact Mass
295.120843
InChI
InChI=1S/C18H17NO3/c1-2-21-18(20)15-11-14-9-6-10-16(17(14)19-15)22-12-13-7-4-3-5-8-13/h3-11,19H,2,12H2,1H3
InChIKey
IMKSDZLFVYKGLY-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
22
Aromatic heavy atom count
15
Fraction Csp3
0.17
Rotatable bonds
5
H-bond acceptors
3
H-bond donors
1
Molar refractivity
85.03
TPSA
51.32
LogP / Solubility
WLOGP
3.92
MLOGP
3.46
XLogP3
4.1
Consensus LogP
3.83
Log S (ESOL)
-4.32
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.81
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.44
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.74
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5
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