![CAS 159634-86-3 1-N-Ms-1,2-dihydro-1’H-spiro[indole-3,4′-piperidine] molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/159634-86-3.gif)
CAS RN: 159634-86-3
1-N-Ms-1,2-dihydro-1’H-spiro[indole-3,4′-piperidine]
- Product code: SSC-067594
Historical Factory Record
Historical Supply Reference
This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.
- Pack sizes on record: 1g
- Available purity: ＞97%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 1g | ＞97% | 0 Out of Stock | Shenzhen | Inquiry |
159634-86-3 / 1-methylsulfonylspiro[2H-indole-3,4'-piperidine];hydrochloride
Basic Information
CAS
159634-86-3
Multi CAS
No
Molecular Formula
C13H19ClN2O2S
Molecular Weight
302.820000
Exact Mass
302.085577
SMILES
CS(=O)(=O)N1CC2(CCNCC2)C3=CC=CC=C31.Cl
InChI
InChI=1S/C13H18N2O2S.ClH/c1-18(16,17)15-10-13(6-8-14-9-7-13)11-4-2-3-5-12(11)15;/h2-5,14H,6-10H2,1H3;1H
InChIKey
SSILBPZKQNIXEO-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
19
Aromatic heavy atom count
6
Fraction Csp3
0.54
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
79.66
TPSA
49.41
LogP / Solubility
WLOGP
1.51
MLOGP
1.34
XLogP3
1.51
Consensus LogP
1.45
Log S (ESOL)
-2.84
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.13
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3
Class (SILICOS-IT)
Poorly 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)
-3.5
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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