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CAS 849062-33-5 3-(3′-Chlorobenzyloxy)phenylboronic acid molecular structure lightbox
CAS RN: 849062-33-5

3-(3′-Chlorobenzyloxy)phenylboronic acid

Product Availability

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3 package records2 with current stock2 grade groups
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250913 1g In stock Inquiry
Batchno.20260415 250mg In stock Inquiry
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260621 5g / 10g Out of stock 3-5 business days Inquiry
  • Product code: SSC-192643
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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: 1g
  • 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 849062-33-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

849062-33-5 / [3-[(3-chlorophenyl)methoxy]phenyl]boronic acid

Standard CAS: 849062-33-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
849062-33-5
Multi CAS
No
Molecular Formula
C13H12BCLO3
Molecular Weight
262.500000
Exact Mass
262.056802
InChI
InChI=1S/C13H12BClO3/c15-12-5-1-3-10(7-12)9-18-13-6-2-4-11(8-13)14(16)17/h1-8,16-17H,9H2
InChIKey
ZSNYOIJMFZLJES-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
18
Aromatic heavy atom count
12
Fraction Csp3
0.08
Rotatable bonds
4
H-bond acceptors
3
H-bond donors
2
Molar refractivity
72.05
TPSA
49.69

LogP / Solubility

WLOGP
1.6
MLOGP
1.41
XLogP3
1.6
Consensus LogP
1.54
Log S (ESOL)
-2.7
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.87
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.17
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.19

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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