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CAS 852110-33-9 2-(2-ISOPROPYLPHENYL)-4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLANE molecular structure lightbox
CAS RN: 852110-33-9

2-(2-ISOPROPYLPHENYL)-4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLANE

Product Availability

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2 package records1 with current stock1 grade group
Batch No.PackageAvailabilityInquiry
Batchno.20250526 1g In stock Inquiry
Batchno.20260315 5g Out of stock Inquiry
  • Product code: SSC-193452
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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: 0.25g, 1g, 5g, 10g, 25g
  • Available purity: ≥95%
  • Inventory rows with stock: 10
  • 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 852110-33-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g -- 2 In Stock Shanghai Inquiry
0.25g ≥95% 2 In Stock Beijing Inquiry
1g -- 2 In Stock Beijing Inquiry
1g ≥95% 2 In Stock Beijing Inquiry
5g -- 2 In Stock Beijing Inquiry
5g ≥95% 2 In Stock Shanghai Inquiry
10g -- 2 In Stock Shanghai Inquiry
10g ≥95% 2 In Stock Beijing Inquiry
25g -- 1 In Stock Shenzhen Inquiry
25g ≥95% 1 In Stock Beijing Inquiry

852110-33-9 / 4,4,5,5-tetramethyl-2-(4-propylphenyl)-1,3,2-dioxaborolane

Standard CAS: 852110-33-9 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
852110-33-9
Multi CAS
Yes
Molecular Formula
BC15H23O2
Molecular Weight
246.150000
Exact Mass
246.179110
InChI
InChI=1S/C15H23BO2/c1-6-7-12-8-10-13(11-9-12)16-17-14(2,3)15(4,5)18-16/h8-11H,6-7H2,1-5H3
InChIKey
WQUCCSKISHNGKO-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
18
Aromatic heavy atom count
6
Fraction Csp3
0.6
Rotatable bonds
3
H-bond acceptors
2
Molar refractivity
76.15
TPSA
18.46

LogP / Solubility

WLOGP
2.94
MLOGP
2.59
XLogP3
2.94
Consensus LogP
2.82
Log S (ESOL)
-3.27
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.7
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.06
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)
-2.14

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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