![CAS 2377609-51-1 Methylbis[4-(tetramethyl-1,3,2-dioxaborolan-2-yl)benzyl]amine molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/2377609-51-1.gif)
CAS RN: 2377609-51-1
Methylbis[4-(tetramethyl-1,3,2-dioxaborolan-2-yl)benzyl]amine
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.20250420 | 100mg / 250mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS2377609-51-1
- Purity/Analytical Methods: >99.0%
2377609-51-1 / N-methyl-1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-N-[[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl]methanamine
Basic Information
CAS
2377609-51-1
Multi CAS
No
Molecular Formula
C27H39B2NO4
Molecular Weight
463.200000
Exact Mass
463.306519
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC=C(C=C2)CN(C)CC3=CC=C(C=C3)B4OC(C(O4)(C)C)(C)C
InChI
InChI=1S/C27H39B2NO4/c1-24(2)25(3,4)32-28(31-24)22-14-10-20(11-15-22)18-30(9)19-21-12-16-23(17-13-21)29-33-26(5,6)27(7,8)34-29/h10-17H,18-19H2,1-9H3
InChIKey
GIAZDDXGJISFCJ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
34
Aromatic heavy atom count
12
Fraction Csp3
0.56
Rotatable bonds
6
H-bond acceptors
5
Molar refractivity
139.49
TPSA
40.16
LogP / Solubility
WLOGP
3.92
MLOGP
3.48
XLogP3
3.92
Consensus LogP
3.77
Log S (ESOL)
-5.04
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.19
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.64
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.76
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3
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