![CAS 1523618-23-6 5-Iodo-3′,4′,5′,6′-tetrahydro-2’H-[ 3,4′]bipyridinyl-1′-carboxylic acid tert-butyl ester molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1523618-23-6.gif)
CAS RN: 1523618-23-6
5-Iodo-3′,4′,5′,6′-tetrahydro-2’H-[ 3,4′]bipyridinyl-1′-carboxylic acid tert-butyl ester
- Product code: SSC-062235
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: ≥95%
- 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 | ≥95% | 0 Out of Stock | Shenzhen | Inquiry |
1523618-23-6 / tert-butyl 4-(5-iodo-3-pyridinyl)piperidine-1-carboxylate
Basic Information
CAS
1523618-23-6
Multi CAS
No
Molecular Formula
C15H21IN2O2
Molecular Weight
388.240000
Exact Mass
388.064780
SMILES
CC(C)(C)OC(=O)N1CCC(CC1)C2=CC(=CN=C2)I
InChI
InChI=1S/C15H21IN2O2/c1-15(2,3)20-14(19)18-6-4-11(5-7-18)12-8-13(16)10-17-9-12/h8-11H,4-7H2,1-3H3
InChIKey
WIMIYGWYPONLCT-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
20
Aromatic heavy atom count
6
Fraction Csp3
0.6
Rotatable bonds
1
H-bond acceptors
3
Molar refractivity
86.74
TPSA
42.43
LogP / Solubility
WLOGP
3.8
MLOGP
3.37
XLogP3
2.9
Consensus LogP
3.36
Log S (ESOL)
-4.8
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.49
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.46
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.39
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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