![CAS 1256359-89-3 N,N-Dimethyl-2-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]acetamide molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1256359-89-3.gif)
CAS RN: 1256359-89-3
N,N-Dimethyl-2-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]acetamide
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1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20260506 | 250mg / 1g / 5g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1256359-89-3
- Purity/Analytical Methods: >99.0%
1256359-89-3 / N,N-dimethyl-2-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]acetamide
Basic Information
CAS
1256359-89-3
Multi CAS
No
Molecular Formula
C16H24BNO3
Molecular Weight
289.200000
Exact Mass
289.184924
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC(=CC=C2)CC(=O)N(C)C
InChI
InChI=1S/C16H24BNO3/c1-15(2)16(3,4)21-17(20-15)13-9-7-8-12(10-13)11-14(19)18(5)6/h7-10H,11H2,1-6H3
InChIKey
WPMUGFJPFCLGQP-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
21
Aromatic heavy atom count
6
Fraction Csp3
0.56
Rotatable bonds
3
H-bond acceptors
3
Molar refractivity
84.56
TPSA
38.77
LogP / Solubility
WLOGP
1.62
MLOGP
1.43
XLogP3
1.62
Consensus LogP
1.56
Log S (ESOL)
-2.66
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.1
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.24
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.34
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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