CAS RN: 82864-25-3
Ethyl L-octahydroindole-2-carboxylate hydrochloride
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20260308 | 100mg / 250mg / 1g | Confirm by inquiry | Shandong | 5-7 business days | Inquiry |
- Product code: starshine_CAS82864-25-3
- Purity/Analytical Methods: >99.0%
82864-25-3 / ethyl 2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxylate;hydrochloride
Basic Information
CAS
82864-25-3
Multi CAS
Yes
Molecular Formula
C11H20CLNO2
Molecular Weight
233.730000
Exact Mass
233.118257
InChI
InChI=1S/C11H19NO2.ClH/c1-2-14-11(13)10-7-8-5-3-4-6-9(8)12-10;/h8-10,12H,2-7H2,1H3;1H/t8-,9-,10-;/m0./s1
InChIKey
TWGKMVURZNPDDC-PUBMXKGKSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Fraction Csp3
0.91
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
61.17
TPSA
38.33
LogP / Solubility
WLOGP
1.89
MLOGP
1.67
XLogP3
1.89
Consensus LogP
1.82
Log S (ESOL)
-2.35
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.84
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.99
Class (SILICOS-IT)
Moderately soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.8
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3
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