CAS RN: 325142-99-2
4-(N,N-DIETHYLAMINOCARBONYL)PHENYLBORONIC ACID, PINACOL ESTER
Product Availability
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1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20260516 | 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS325142-99-2
- Purity/Analytical Methods: >99.0%
325142-99-2 / N,N-diethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide
Basic Information
CAS
325142-99-2
Multi CAS
No
Molecular Formula
BC17H26NO3
Molecular Weight
303.200000
Exact Mass
303.200574
InChI
InChI=1S/C17H26BNO3/c1-7-19(8-2)15(20)13-9-11-14(12-10-13)18-21-16(3,4)17(5,6)22-18/h9-12H,7-8H2,1-6H3
InChIKey
GGSTYOBAIUYURJ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
22
Aromatic heavy atom count
6
Fraction Csp3
0.59
Rotatable bonds
4
H-bond acceptors
3
Molar refractivity
89.41
TPSA
38.77
LogP / Solubility
WLOGP
2.47
MLOGP
2.18
XLogP3
2.47
Consensus LogP
2.37
Log S (ESOL)
-3.21
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.83
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.16
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)
-2.82
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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