![CAS 1779125-38-0 5-Methoxy-1,2-dihydrospiro[indole-3,4′-piperidine]-2-one hydrochloride molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1779125-38-0.gif)
CAS RN: 1779125-38-0
5-Methoxy-1,2-dihydrospiro[indole-3,4′-piperidine]-2-one hydrochloride
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.20260317 | 1g | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS1779125-38-0
- Purity/Analytical Methods: >99.0%
1779125-38-0 / 5-methoxyspiro[1H-indole-3,4'-piperidine]-2-one;hydrochloride
Basic Information
CAS
1779125-38-0
Multi CAS
No
Molecular Formula
C13H17ClN2O2
Molecular Weight
268.740000
Exact Mass
268.097856
SMILES
COC1=CC2=C(C=C1)NC(=O)C23CCNCC3.Cl
InChI
InChI=1S/C13H16N2O2.ClH/c1-17-9-2-3-11-10(8-9)13(12(16)15-11)4-6-14-7-5-13;/h2-3,8,14H,4-7H2,1H3,(H,15,16);1H
InChIKey
LIOHLDIBKHQMNX-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
18
Aromatic heavy atom count
6
Fraction Csp3
0.46
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
2
Molar refractivity
72.65
TPSA
50.36
LogP / Solubility
WLOGP
1.69
MLOGP
1.5
XLogP3
1.69
Consensus LogP
1.63
Log S (ESOL)
-2.75
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.98
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.93
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
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.16
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2.5
Customers Also Viewed
-
![CAS 1779125-91-5 tert-Butyl 7-bromo-2-oxospiro[indoline-3,4′-piperidine]-1′-carboxylate molecular structure](data:image/svg+xml,%3Csvg%20xmlns='http://www.w3.org/2000/svg'%20viewBox='0%200%200%200'%3E%3C/svg%3E)
tert-Butyl 7-bromo-2-oxospiro[indoline-3,4′-piperidine]-1′-carboxylate
- CAS RN: 1779125-91-5
- Product Code: starshine_CAS1779125-91-5
- Purity/Analytical method: >99.0%
-
tert-Butyl 2-cyclopropyl-4-oxo-1,3,8-triazaspiro[4.5]dec-1-ene-8-carboxylate
- CAS RN: 1779126-43-0
- Product Code: starshine_CAS1779126-43-0
- Purity/Analytical method: >99.0%
-
3-Methyl-2-(piperidin-3-yloxy)pyridine hydrochloride
- CAS RN: 1779126-53-2
- Product Code: starshine_CAS1779126-53-2
- Purity/Analytical method: >99.0%
-
1-(Pyridin-2-yl)-1H-imidazole-5-carboxylic acid
- CAS RN: 1779128-15-2
- Product Code: SSC-077792
-
(4-Bromopyridin-2-yl)methanamine hydrochloride
- CAS RN: 1779128-18-5
- Product Code: SSC-077793
-
5-(Difluoromethoxy)pyridin-3-amine dihydrochloride
- CAS RN: 1779133-06-0
- Product Code: SSC-077795
![CAS 1779125-91-5 tert-Butyl 7-bromo-2-oxospiro[indoline-3,4′-piperidine]-1′-carboxylate molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1779125-91-5.gif)
![CAS 1779126-43-0 tert-Butyl 2-cyclopropyl-4-oxo-1,3,8-triazaspiro[4.5]dec-1-ene-8-carboxylate molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/CB52698486.gif)
