CAS RN: 80041-89-0
Isopropylboronic Acid (contains varying amounts of Anhydride)
- Product code: SSC-189063
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: 1g, 25g, 5g, 10g, 100g
- Available purity: >95%
- Inventory rows with stock: 4
- 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 |
|---|---|---|---|---|
| 1g | >95% | 5 In Stock | Beijing | Inquiry |
| 25g | >95% | 5 In Stock | Hong Kong | Inquiry |
| 5g | >95% | 2 In Stock | Hong Kong | Inquiry |
| 10g | >95% | 1 In Stock | Shanghai | Inquiry |
| 100g | >95% | 0 Out of Stock | Beijing | Inquiry |
80041-89-0 / propan-2-ylboronic acid
Basic Information
CAS
80041-89-0
Multi CAS
No
Molecular Formula
BC3H9O2
Molecular Weight
87.920000
Exact Mass
88.069560
InChI
InChI=1S/C3H9BO2/c1-3(2)4(5)6/h3,5-6H,1-2H3
InChIKey
QIPHSSYCQCBJAX-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
6
Fraction Csp3
1
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
2
Molar refractivity
25.29
TPSA
40.46
LogP / Solubility
WLOGP
-0.13
MLOGP
-0.13
XLogP3
-0.13
Consensus LogP
-0.13
Log S (ESOL)
-0.24
Class (ESOL)
Very soluble
Log S (Ali)
-0.19
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.24
Class (SILICOS-IT)
Very 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)
-3.35
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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