CAS RN: 2724208-39-1
N,N-Dipropyl-4-(tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide
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.20250215 | 250mg / 1g / 5g / 25g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS2724208-39-1
- Purity/Analytical Methods: >99.0%
2724208-39-1 / N,N-dipropyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide
Basic Information
CAS
2724208-39-1
Multi CAS
No
Molecular Formula
BC19H30NO3
Molecular Weight
331.300000
Exact Mass
331.231874
InChI
InChI=1S/C19H30BNO3/c1-7-13-21(14-8-2)17(22)15-9-11-16(12-10-15)20-23-18(3,4)19(5,6)24-20/h9-12H,7-8,13-14H2,1-6H3
InChIKey
BXVJEOQXHZUQCB-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
24
Aromatic heavy atom count
6
Fraction Csp3
0.63
Rotatable bonds
6
H-bond acceptors
3
Molar refractivity
98.64
TPSA
38.77
LogP / Solubility
WLOGP
3.25
MLOGP
2.87
XLogP3
3.25
Consensus LogP
3.12
Log S (ESOL)
-3.73
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.62
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.23
Class (SILICOS-IT)
Slightly 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)
-2.43
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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