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CAS 865869-26-7 4,4,5,5-TETRAMETHYL-2-(4-METHYLCYCLOHEX-1-ENYL)-1,3,2-DIOXABOROLANE molecular structure lightbox
CAS RN: 865869-26-7

4,4,5,5-TETRAMETHYL-2-(4-METHYLCYCLOHEX-1-ENYL)-1,3,2-DIOXABOROLANE

  • Product code: SSC-195766
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Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 0.1g, 0.25g, 1g, 5g
  • Available purity: ≥95%
  • Inventory rows with stock: 1
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 865869-26-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ≥95% 1 In Stock Beijing Inquiry
0.25g ≥95% 0 Out of Stock Beijing Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry
5g ≥95% 0 Out of Stock Shanghai Inquiry

865869-26-7 / 4,4,5,5-tetramethyl-2-(4-methylcyclohexen-1-yl)-1,3,2-dioxaborolane

Standard CAS: 865869-26-7 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
865869-26-7
Multi CAS
Yes
Molecular Formula
BC13H23O2
Molecular Weight
222.130000
Exact Mass
222.179110
InChI
InChI=1S/C13H23BO2/c1-10-6-8-11(9-7-10)14-15-12(2,3)13(4,5)16-14/h8,10H,6-7,9H2,1-5H3
InChIKey
SVHPQFUXPUDKLE-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Fraction Csp3
0.85
Rotatable bonds
1
H-bond acceptors
2
Molar refractivity
67.18
TPSA
18.46

LogP / Solubility

WLOGP
3.36
MLOGP
2.96
XLogP3
3.36
Consensus LogP
3.23
Log S (ESOL)
-3.27
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.81
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.02
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)
-1.69

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
2

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