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CAS 290832-43-8 2-ISOPROPOXY-5-(TRIFLUOROMETHOXY)PHENYLBORONIC ACID molecular structure lightbox
CAS RN: 290832-43-8

2-ISOPROPOXY-5-(TRIFLUOROMETHOXY)PHENYLBORONIC ACID

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250227 250mg / 1g / 5g / 25g Confirm by inquiry Shanghai 8-10 business days Inquiry
  • Product code: SSC-131303
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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: ＞97%
  • 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 290832-43-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Shanghai Inquiry

290832-43-8 / [2-methoxy-5-(trifluoromethoxy)phenyl]boronic acid

Standard CAS: 290832-43-8 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
290832-43-8
Multi CAS
Yes
Molecular Formula
BC8F3H8O4
Molecular Weight
235.950000
Exact Mass
236.046773
InChI
InChI=1S/C8H8BF3O4/c1-15-7-3-2-5(16-8(10,11)12)4-6(7)9(13)14/h2-4,13-14H,1H3
InChIKey
PZDNMFGRXYPDJA-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
6
Fraction Csp3
0.25
Rotatable bonds
3
H-bond acceptors
4
H-bond donors
2
Molar refractivity
49.5
TPSA
58.92

LogP / Solubility

WLOGP
0.27
MLOGP
0.25
XLogP3
0.27
Consensus LogP
0.26
Log S (ESOL)
-1.55
Class (ESOL)
Soluble
Log S (Ali)
-1.69
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.78
Class (SILICOS-IT)
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)
-3.97

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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