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CAS 373384-12-4 2-(tert-Butoxymethyl)phenylboronic acid molecular structure lightbox
CAS RN: 373384-12-4

2-(tert-Butoxymethyl)phenylboronic acid

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250811 100mg / 250mg Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS373384-12-4
  • Purity/Analytical Methods: >99.0%
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373384-12-4 / [2-[(2-methylpropan-2-yl)oxymethyl]phenyl]boronic acid

Standard CAS: 373384-12-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
373384-12-4
Multi CAS
No
Molecular Formula
BC11H17O3
Molecular Weight
208.060000
Exact Mass
208.127075
InChI
InChI=1S/C11H17BO3/c1-11(2,3)15-8-9-6-4-5-7-10(9)12(13)14/h4-7,13-14H,8H2,1-3H3
InChIKey
MKTUWARSDLQBAL-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
6
Fraction Csp3
0.45
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
2
Molar refractivity
60.81
TPSA
49.69

LogP / Solubility

WLOGP
0.68
MLOGP
0.6
XLogP3
0.68
Consensus LogP
0.65
Log S (ESOL)
-1.66
Class (ESOL)
Soluble
Log S (Ali)
-1.76
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.94
Class (SILICOS-IT)
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)
-3.51

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
1.5

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