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CAS 1823170-17-7 4-(Benzyloxy)-2-fluorophenylboronic acid pinacol ester molecular structure lightbox
CAS RN: 1823170-17-7

4-(Benzyloxy)-2-fluorophenylboronic acid pinacol ester

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250312 250mg / 1g / 5g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS1823170-17-7
  • Purity/Analytical Methods: >99.0%
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1823170-17-7 / 2-(2-fluoro-4-phenylmethoxyphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

Standard CAS: 1823170-17-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1823170-17-7
Multi CAS
No
Molecular Formula
C19H22BFO3
Molecular Weight
328.200000
Exact Mass
328.164603
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=C(C=C(C=C2)OCC3=CC=CC=C3)F
InChI
InChI=1S/C19H22BFO3/c1-18(2)19(3,4)24-20(23-18)16-11-10-15(12-17(16)21)22-13-14-8-6-5-7-9-14/h5-12H,13H2,1-4H3
InChIKey
GZZQURYDPPCTSI-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
24
Aromatic heavy atom count
12
Fraction Csp3
0.37
Rotatable bonds
4
H-bond acceptors
3
Molar refractivity
92.89
TPSA
27.69

LogP / Solubility

WLOGP
3.7
MLOGP
3.27
XLogP3
3.7
Consensus LogP
3.56
Log S (ESOL)
-4.31
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.93
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.35
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.09

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
2.5

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