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CAS 445303-65-1 2-(3-(difluoroMethyl)-4-fluorophenyl)-4,4,5,5-tetraMethyl-1,3,2-dioxaborolane molecular structure lightbox
CAS RN: 445303-65-1

2-(3-(difluoroMethyl)-4-fluorophenyl)-4,4,5,5-tetraMethyl-1,3,2-dioxaborolane

Product Availability

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5 package records3 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250407 100mg In stock Shanghai Inquiry
Batchno.20250628 100mg / 250mg / 1g / 5g Out of stock 3-5 business days Inquiry
Batchno.20250603 1g In stock Shanghai Inquiry
Batchno.20260210 250mg In stock Shanghai Inquiry
Batchno.20250423 5g Out of stock Inquiry
  • Product code: SSC-152570
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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 445303-65-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

445303-65-1 / 2-[3-(difluoromethyl)-4-fluorophenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

Standard CAS: 445303-65-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
445303-65-1
Multi CAS
No
Molecular Formula
BC13F3H16O2
Molecular Weight
272.070000
Exact Mass
272.119544
InChI
InChI=1S/C13H16BF3O2/c1-12(2)13(3,4)19-14(18-12)8-5-6-10(15)9(7-8)11(16)17/h5-7,11H,1-4H3
InChIKey
DSPZNBCXPQKETC-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
19
Aromatic heavy atom count
6
Fraction Csp3
0.54
Rotatable bonds
2
H-bond acceptors
2
Molar refractivity
67.07
TPSA
18.46

LogP / Solubility

WLOGP
3.06
MLOGP
2.7
XLogP3
3.06
Consensus LogP
2.94
Log S (ESOL)
-3.56
Class (ESOL)
Poorly soluble
Log S (Ali)
-4
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.21
Class (SILICOS-IT)
Slightly 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)
-2.21

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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