CAS RN: 59694-51-8
7-AMino-5-chloroindole-2-carboxylic acid ethyl ester
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.20250823 | 50mg / 250mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS59694-51-8
- Purity/Analytical Methods: >99.0%
59694-51-8 / ethyl 7-amino-5-chloro-1H-indole-2-carboxylate
Basic Information
CAS
59694-51-8
Multi CAS
No
Molecular Formula
C11H11CLN2O2
Molecular Weight
238.670000
Exact Mass
238.050905
InChI
InChI=1S/C11H11ClN2O2/c1-2-16-11(15)9-4-6-3-7(12)5-8(13)10(6)14-9/h3-5,14H,2,13H2,1H3
InChIKey
PIHIUNXBMGLYRF-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Aromatic heavy atom count
9
Fraction Csp3
0.18
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
2
Molar refractivity
63.68
TPSA
68.11
LogP / Solubility
WLOGP
2.58
MLOGP
2.28
XLogP3
2.5
Consensus LogP
2.45
Log S (ESOL)
-3.23
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.38
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.59
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)
-2.34
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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