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CAS 853998-14-8 4,4,5,5-TETRAMETHYL-2-(5,5,8,8-TETRAMETHYL-5,6,7,8-TETRAHYDRONAPHTHALEN-2-YL)-1,3,2-DIOXABOROLANE(WXG00895) molecular structure lightbox
CAS RN: 853998-14-8

4,4,5,5-TETRAMETHYL-2-(5,5,8,8-TETRAMETHYL-5,6,7,8-TETRAHYDRONAPHTHALEN-2-YL)-1,3,2-DIOXABOROLANE(WXG00895)

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250715 250mg / 1g / 5g Out of stock 5-7 business days Inquiry
  • Product code: SSC-193757
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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: ＞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 853998-14-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Hong Kong Inquiry

853998-14-8 / 4,4,5,5-tetramethyl-2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3,2-dioxaborolane

Standard CAS: 853998-14-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
853998-14-8
Multi CAS
No
Molecular Formula
BC20H31O2
Molecular Weight
314.300000
Exact Mass
314.241710
InChI
InChI=1S/C20H31BO2/c1-17(2)11-12-18(3,4)16-13-14(9-10-15(16)17)21-22-19(5,6)20(7,8)23-21/h9-10,13H,11-12H2,1-8H3
InChIKey
FUSVGFZGSVYZAI-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
23
Aromatic heavy atom count
6
Fraction Csp3
0.7
Rotatable bonds
1
H-bond acceptors
2
Molar refractivity
97.44
TPSA
18.46

LogP / Solubility

WLOGP
4.33
MLOGP
3.83
XLogP3
4.33
Consensus LogP
4.16
Log S (ESOL)
-4.65
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.27
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.42
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)
-1.56

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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