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CAS 156635-89-1 4-Benzyloxy-2,6-difluorophenylboronic acid molecular structure lightbox
CAS RN: 156635-89-1

4-Benzyloxy-2,6-difluorophenylboronic acid

Product Availability

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4 package records2 with current stock1 grade group
Batch No.PackageAvailabilityInquiry
Batchno.20251221 1g In stock Inquiry
Batchno.20250706 250mg In stock Inquiry
Batchno.20250927 25g Out of stock Inquiry
Batchno.20251112 5g Out of stock Inquiry
  • Product code: SSC-065721
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 5g
  • Available purity: ＞95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 156635-89-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ＞95% 0 Out of Stock Shanghai Inquiry

156635-89-1 / (2,6-difluoro-4-phenylmethoxyphenyl)boronic acid

Standard CAS: 156635-89-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
156635-89-1
Multi CAS
No
Molecular Formula
C13H11BF2O3
Molecular Weight
264.030000
Exact Mass
264.076931
SMILES
B(C1=C(C=C(C=C1F)OCC2=CC=CC=C2)F)(O)O
InChI
InChI=1S/C13H11BF2O3/c15-11-6-10(7-12(16)13(11)14(17)18)19-8-9-4-2-1-3-5-9/h1-7,17-18H,8H2
InChIKey
CDIXTACVWOYKES-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
19
Aromatic heavy atom count
12
Fraction Csp3
0.08
Rotatable bonds
4
H-bond acceptors
3
H-bond donors
2
Molar refractivity
66.96
TPSA
49.69

LogP / Solubility

WLOGP
1.22
MLOGP
1.08
XLogP3
1.22
Consensus LogP
1.17
Log S (ESOL)
-2.45
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.61
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.87
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)
-3.46

Drug-likeness / Medicinal Chemistry

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

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