CAS RN: 1150271-51-4
2-Methoxy-N-(2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzyl)ethanamine
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1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20260113 | 100mg / 250mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1150271-51-4
- Purity/Analytical Methods: >99.0%
1150271-51-4 / 2-methoxy-N-[[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl]ethanamine
2-METHOXY-N-(2-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)BENZYL)ETHANAMINE | 2-(2-Methoxyethyl)aminomethylphenylboronic acid, pinacol ester | MFCD11855968
Basic Information
CAS
1150271-51-4
Multi CAS
Yes
Molecular Formula
C16H26BNO3
Molecular Weight
291.200000
Exact Mass
291.200574
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC=CC=C2CNCCOC
InChI
InChI=1S/C16H26BNO3/c1-15(2)16(3,4)21-17(20-15)14-9-7-6-8-13(14)12-18-10-11-19-5/h6-9,18H,10-12H2,1-5H3
InChIKey
RWIHUPXIAMWITH-UHFFFAOYSA-N
Synonyms
2-METHOXY-N-(2-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)BENZYL)ETHANAMINE
2-(2-Methoxyethyl)aminomethylphenylboronic acid, pinacol ester
MFCD11855968
2-methoxy-N-[[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl]ethanamine
Benzenemethanamine, N-(2-methoxyethyl)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-
Computed Properties
Structural Parameters
Heavy atom count
21
Aromatic heavy atom count
6
Fraction Csp3
0.62
Rotatable bonds
6
H-bond acceptors
4
H-bond donors
1
Molar refractivity
85.74
TPSA
39.72
LogP / Solubility
WLOGP
1.72
MLOGP
1.53
XLogP3
1.72
Consensus LogP
1.66
Log S (ESOL)
-2.55
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.19
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.7
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)
-3.27
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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