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CAS 145434-22-6 2,4,6-TRIISOPROPYLPHENYLBORONIC ACID MET molecular structure lightbox
CAS RN: 145434-22-6

2,4,6-TRIISOPROPYLPHENYLBORONIC ACID MET

Product Availability

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3 package records2 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260319 1g In stock Shenzhen, Tianjin Inquiry
Batchno.20260329 250mg In stock Shenzhen, Tianjin Inquiry
Batchno.20260606 5g Out of stock Inquiry
  • Product code: starshine_CAS145434-22-6
  • Purity/Analytical Methods: >99.0%
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145434-22-6 / dimethoxy-[2,4,6-tri(propan-2-yl)phenyl]borane

Standard CAS: 145434-22-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
145434-22-6
Multi CAS
No
Molecular Formula
C17H29BO2
Molecular Weight
276.200000
Exact Mass
276.226060
SMILES
B(C1=C(C=C(C=C1C(C)C)C(C)C)C(C)C)(OC)OC
InChI
InChI=1S/C17H29BO2/c1-11(2)14-9-15(12(3)4)17(18(19-7)20-8)16(10-14)13(5)6/h9-13H,1-8H3
InChIKey
KRQWDHHDTSORLQ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
20
Aromatic heavy atom count
6
Fraction Csp3
0.65
Rotatable bonds
6
H-bond acceptors
2
Molar refractivity
88.12
TPSA
18.46

LogP / Solubility

WLOGP
4.04
MLOGP
3.57
XLogP3
4.04
Consensus LogP
3.88
Log S (ESOL)
-3.93
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.75
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.53
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.53

Drug-likeness / Medicinal Chemistry

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

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