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CAS 352534-87-3 5-CHLORO-2-ISOPROPOXYPHENYLBORONIC ACID molecular structure lightbox
CAS RN: 352534-87-3

5-CHLORO-2-ISOPROPOXYPHENYLBORONIC ACID

Product Availability

Choose a grade to view its available package options.

2 package records2 with current stock1 grade group
Batch No.PackageAvailabilityInquiry
Batchno.20250730 1g In stock Inquiry
Batchno.20250810 5g In stock Inquiry
  • Product code: SSC-142197
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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 352534-87-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Beijing Inquiry

352534-87-3 / (5-chloro-2-propan-2-yloxyphenyl)boronic acid

Standard CAS: 352534-87-3 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
352534-87-3
Multi CAS
Yes
Molecular Formula
C9H12BCLO3
Molecular Weight
214.450000
Exact Mass
214.056802
InChI
InChI=1S/C9H12BClO3/c1-6(2)14-9-4-3-7(11)5-8(9)10(12)13/h3-6,12-13H,1-2H3
InChIKey
FGRYIHCKXSSLGB-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.33
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
2
Molar refractivity
57.04
TPSA
49.69

LogP / Solubility

WLOGP
0.81
MLOGP
0.71
XLogP3
0.81
Consensus LogP
0.78
Log S (ESOL)
-1.8
Class (ESOL)
Soluble
Log S (Ali)
-1.9
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.08
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
No
Synthetic Accessibility
1.5

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