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CAS 132488-71-2 (+)-Vinylboronic acid pinanediol ester molecular structure lightbox
CAS RN: 132488-71-2

(+)-Vinylboronic acid pinanediol ester

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3 package records0 with current stock1 grade group
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Batchno.20260422 100mg Out of stock Inquiry
Batchno.20250120 1g Out of stock Inquiry
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  • Product code: starshine_CAS132488-71-2
  • Purity/Analytical Methods: >99.0%
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132488-71-2 / (1R,2R,6S,8R)-4-ethenyl-2,9,9-trimethyl-3,5-dioxa-4-boratricyclo[6.1.1.02,6]decane

Standard CAS: 132488-71-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
132488-71-2
Multi CAS
No
Molecular Formula
C12H19BO2
Molecular Weight
206.090000
Exact Mass
206.147810
SMILES
B1(O[C@H]2C[C@H]3C[C@@H]([C@]2(O1)C)C3(C)C)C=C
InChI
InChI=1S/C12H19BO2/c1-5-13-14-10-7-8-6-9(11(8,2)3)12(10,4)15-13/h5,8-10H,1,6-7H2,2-4H3/t8-,9-,10+,12-/m1/s1
InChIKey
POAOFRAFKLHZGL-MWGHHZFTSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Fraction Csp3
0.83
Rotatable bonds
1
H-bond acceptors
2
Molar refractivity
60.31
TPSA
18.46

LogP / Solubility

WLOGP
2.44
MLOGP
2.15
XLogP3
2.44
Consensus LogP
2.34
Log S (ESOL)
-2.59
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.01
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.14
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
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.24

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
6

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