![CAS 1707713-79-8 5-Bromospiro[Indoline-3,4′-Piperidin]-2-One Hydrochloride molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1707713-79-8.gif)
CAS RN: 1707713-79-8
5-Bromospiro[Indoline-3,4′-Piperidin]-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.20250601 | 1g | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS1707713-79-8
- Purity/Analytical Methods: >99.0%
1707713-79-8 / 5-bromospiro[1H-indole-3,4'-piperidine]-2-one;hydrochloride
Basic Information
CAS
1707713-79-8
Multi CAS
No
Molecular Formula
C12H14BrClN2O
Molecular Weight
317.610000
Exact Mass
315.997800
SMILES
C1CNCCC12C3=C(C=CC(=C3)Br)NC2=O.Cl
InChI
InChI=1S/C12H13BrN2O.ClH/c13-8-1-2-10-9(7-8)12(11(16)15-10)3-5-14-6-4-12;/h1-2,7,14H,3-6H2,(H,15,16);1H
InChIKey
YTEPNIBHZNSJML-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
17
Aromatic heavy atom count
6
Fraction Csp3
0.42
H-bond acceptors
2
H-bond donors
2
Molar refractivity
73.8
TPSA
41.13
LogP / Solubility
WLOGP
2.44
MLOGP
2.17
XLogP3
2.44
Consensus LogP
2.35
Log S (ESOL)
-3.61
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.93
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.75
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.92
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2.5
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