![CAS 1642583-50-3 1-Isopropyl-4-(4,4,5,5-tetraMethyl-[1,3,2]dioxaborolan-2-yl)-1,2,3,6-tetrahydro-pyridine molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/CB52656990.gif)
CAS RN: 1642583-50-3
1-Isopropyl-4-(4,4,5,5-tetraMethyl-[1,3,2]dioxaborolan-2-yl)-1,2,3,6-tetrahydro-pyridine
- Product code: SSC-071688
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 | Beijing | Inquiry |
1642583-50-3 / 1-propan-2-yl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydro-2H-pyridine
Basic Information
CAS
1642583-50-3
Multi CAS
No
Molecular Formula
C14H26BNO2
Molecular Weight
251.170000
Exact Mass
251.205659
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CCN(CC2)C(C)C
InChI
InChI=1S/C14H26BNO2/c1-11(2)16-9-7-12(8-10-16)15-17-13(3,4)14(5,6)18-15/h7,11H,8-10H2,1-6H3
InChIKey
SYBDOJXCTAUOEL-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
18
Fraction Csp3
0.86
Rotatable bonds
2
H-bond acceptors
3
Molar refractivity
75.49
TPSA
21.7
LogP / Solubility
WLOGP
2.66
MLOGP
2.35
XLogP3
2.66
Consensus LogP
2.56
Log S (ESOL)
-2.94
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.54
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.74
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)
-2.36
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5
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