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CAS 34907-53-4 2.4.6-Methyltrimethylbenzeneborate molecular structure lightbox
CAS RN: 34907-53-4

2.4.6-Methyltrimethylbenzeneborate

Product Availability

Choose a grade to view its available package options.

4 package records4 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250615 1g In stock Shanghai, Shenzhen Inquiry
Batchno.20250706 250mg In stock Shanghai, Tianjin Inquiry
Batchno.20260204 250mg / 1g / 5g Confirm by inquiry Shandong, Shanghai Inquiry
Batchno.20250404 5g In stock Shanghai Inquiry
  • Product code: starshine_CAS34907-53-4
  • Purity/Analytical Methods: >99.0%
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34907-53-4 / dimethoxy-(2,4,6-trimethylphenyl)borane

Standard CAS: 34907-53-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
34907-53-4
Multi CAS
No
Molecular Formula
BC11H17O2
Molecular Weight
192.060000
Exact Mass
192.132160
InChI
InChI=1S/C11H17BO2/c1-8-6-9(2)11(10(3)7-8)12(13-4)14-5/h6-7H,1-5H3
InChIKey
NCEUIABFEQHUQB-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.45
Rotatable bonds
3
H-bond acceptors
2
Molar refractivity
60.06
TPSA
18.46

LogP / Solubility

WLOGP
1.6
MLOGP
1.41
XLogP3
1.6
Consensus LogP
1.54
Log S (ESOL)
-2.16
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.29
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.6
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.76

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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