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CAS 854371-84-9 1,3,2-Dioxaborolane, 2-[4-[(2-chlorophenyl)methoxy]phenyl]-4,4,5,5-tetramethyl- molecular structure lightbox
CAS RN: 854371-84-9

1,3,2-Dioxaborolane, 2-[4-[(2-chlorophenyl)methoxy]phenyl]-4,4,5,5-tetramethyl-

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250116 100mg / 250mg / 1g Confirm by inquiry Shanghai Inquiry
  • Product code: SSC-193811
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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 854371-84-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

854371-84-9 / 2-[4-[(2-chlorophenyl)methoxy]phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

Standard CAS: 854371-84-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
854371-84-9
Multi CAS
No
Molecular Formula
C19H22BCLO3
Molecular Weight
344.600000
Exact Mass
344.135052
InChI
InChI=1S/C19H22BClO3/c1-18(2)19(3,4)24-20(23-18)15-9-11-16(12-10-15)22-13-14-7-5-6-8-17(14)21/h5-12H,13H2,1-4H3
InChIKey
ZPECTTVZGMQBHZ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
24
Aromatic heavy atom count
12
Fraction Csp3
0.37
Rotatable bonds
4
H-bond acceptors
3
Molar refractivity
97.94
TPSA
27.69

LogP / Solubility

WLOGP
4.22
MLOGP
3.73
XLogP3
4.22
Consensus LogP
4.06
Log S (ESOL)
-4.74
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.43
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.88
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.83

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5

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