![CAS 844501-00-4 [1-(TERT-BUTOXYCARBONYL)-1,2,3,6-TETRAHYDROPYRIDIN-4-YL]BORONIC ACID molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/844501-00-4.gif)
CAS RN: 844501-00-4
[1-(TERT-BUTOXYCARBONYL)-1,2,3,6-TETRAHYDROPYRIDIN-4-YL]BORONIC ACID
Product Availability
Choose a grade to view its available package options.
2 package records2 with current stock2 grade groups
- Product code: SSC-191940
Verified Factory Data
Supply Overview & Packaging Options
Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.
- Pack sizes on record: 0.1g, 5g, 0.25g, 1g, 10g, 25g, 100g
- Available purity: >98%
- Inventory rows with stock: 7
- Bulk packaging: confirmed by inquiry
Available Pack Sizes & Stock
Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 0.1g | >98% | 5 In Stock | Hong Kong | Inquiry |
| 5g | >98% | 4 In Stock | Shenzhen | Inquiry |
| 0.25g | >98% | 3 In Stock | Beijing | Inquiry |
| 1g | >98% | 2 In Stock | Shanghai | Inquiry |
| 10g | >98% | 2 In Stock | Beijing | Inquiry |
| 25g | >98% | 2 In Stock | Shenzhen | Inquiry |
| 100g | >98% | 2 In Stock | Beijing | Inquiry |
844501-00-4 / [1-[(2-methylpropan-2-yl)oxycarbonyl]-3,6-dihydro-2H-pyridin-4-yl]boronic acid
Basic Information
CAS
844501-00-4
Multi CAS
Yes
Molecular Formula
BC10H18NO4
Molecular Weight
227.070000
Exact Mass
227.132888
InChI
InChI=1S/C10H18BNO4/c1-10(2,3)16-9(13)12-6-4-8(5-7-12)11(14)15/h4,14-15H,5-7H2,1-3H3
InChIKey
WHYUAGZAHLUISP-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Fraction Csp3
0.7
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
2
Molar refractivity
60.7
TPSA
70
LogP / Solubility
WLOGP
0.57
MLOGP
0.5
XLogP3
0.57
Consensus LogP
0.55
Log S (ESOL)
-1.54
Class (ESOL)
Soluble
Log S (Ali)
-1.83
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.73
Class (SILICOS-IT)
Soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.7
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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