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CAS 69807-93-8 4,4,5,5-tetramethyl-2-(2,4,6-trichlorophenyl)-1,3,2-dioxaborolane molecular structure lightbox
CAS RN: 69807-93-8

4,4,5,5-tetramethyl-2-(2,4,6-trichlorophenyl)-1,3,2-dioxaborolane

  • Product code: SSC-179582
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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: 25g
  • 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 69807-93-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
25g ＞97% 0 Out of Stock Shenzhen Inquiry

69807-93-8 / 4,4,5,5-tetramethyl-2-(2,4,6-trichlorophenyl)-1,3,2-dioxaborolane

Standard CAS: 69807-93-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
69807-93-8
Multi CAS
No
Molecular Formula
C12H14BCL3O2
Molecular Weight
307.400000
Exact Mass
306.015243
InChI
InChI=1S/C12H14BCl3O2/c1-11(2)12(3,4)18-13(17-11)10-8(15)5-7(14)6-9(10)16/h5-6H,1-4H3
InChIKey
BGXCPGPJHBGRPJ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
18
Aromatic heavy atom count
6
Fraction Csp3
0.5
Rotatable bonds
1
H-bond acceptors
2
Molar refractivity
77.19
TPSA
18.46

LogP / Solubility

WLOGP
3.95
MLOGP
3.49
XLogP3
3.95
Consensus LogP
3.8
Log S (ESOL)
-4.41
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.93
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.05
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.79

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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