![CAS 532391-30-3 2,2-DIMETHYL-N-[3-(4,4,5,5-TETRAMETHYL-[1,3,2]DIOXABOROLAN-2-YL)-PYRIDIN-2-YL]-PROPIONAMIDE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/532391-30-3.gif)
CAS RN: 532391-30-3
2,2-DIMETHYL-N-[3-(4,4,5,5-TETRAMETHYL-[1,3,2]DIOXABOROLAN-2-YL)-PYRIDIN-2-YL]-PROPIONAMIDE
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20260212 | 1g | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS532391-30-3
- Purity/Analytical Methods: >99.0%
532391-30-3 / 2,2-dimethyl-N-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]propanamide
Basic Information
CAS
532391-30-3
Multi CAS
Yes
Molecular Formula
BC16H25N2O3
Molecular Weight
304.200000
Exact Mass
304.195823
InChI
InChI=1S/C16H25BN2O3/c1-14(2,3)13(20)19-12-11(9-8-10-18-12)17-21-15(4,5)16(6,7)22-17/h8-10H,1-7H3,(H,18,19,20)
InChIKey
JTGWGXPOGSUYCT-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
22
Aromatic heavy atom count
6
Fraction Csp3
0.62
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
1
Molar refractivity
88.04
TPSA
60.45
LogP / Solubility
WLOGP
2.37
MLOGP
2.09
XLogP3
2.37
Consensus LogP
2.28
Log S (ESOL)
-3.29
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.76
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.84
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.9
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
2.5
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