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CAS 2217657-10-6 2-(4-(tert-butyl)naphthalen-2-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane molecular structure lightbox
CAS RN: 2217657-10-6

2-(4-(tert-butyl)naphthalen-2-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250720 1g / 5g / 25g Out of stock 8-10 business days Inquiry
  • Product code: SSC-106673
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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: 5g
  • 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 2217657-10-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ＞97% 0 Out of Stock Shenzhen Inquiry

2217657-10-6 / 2-(4-tert-butylnaphthalen-2-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

Standard CAS: 2217657-10-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
2217657-10-6
Multi CAS
No
Molecular Formula
C20H27BO2
Molecular Weight
310.200000
Exact Mass
310.210410
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC3=CC=CC=C3C(=C2)C(C)(C)C
InChI
InChI=1S/C20H27BO2/c1-18(2,3)17-13-15(12-14-10-8-9-11-16(14)17)21-22-19(4,5)20(6,7)23-21/h8-13H,1-7H3
InChIKey
HNJXYGUFBXLHNW-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
23
Aromatic heavy atom count
10
Fraction Csp3
0.5
Rotatable bonds
1
H-bond acceptors
2
Molar refractivity
98.36
TPSA
18.46

LogP / Solubility

WLOGP
4.44
MLOGP
3.92
XLogP3
4.44
Consensus LogP
4.27
Log S (ESOL)
-4.81
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.31
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.48
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)
-1.46

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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