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CAS 1106871-37-7 8-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-1,4-dioxaspiro[4.5]decane molecular structure lightbox
CAS RN: 1106871-37-7

8-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-1,4-dioxaspiro[4.5]decane

Product Availability

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5 package records5 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260216 100mg In stock Shanghai, Shenzhen Inquiry
Batchno.20251225 1g In stock Shanghai, Shenzhen, Tianjin, Chengdu Inquiry
Batchno.20251223 250mg In stock Shanghai, Shenzhen Inquiry
Batchno.20260221 25g In stock Shanghai, Chengdu Inquiry
Batchno.20250303 5g In stock Shanghai Inquiry
  • Product code: SSC-011659
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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: ≥95%
  • 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 1106871-37-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

1106871-37-7 / 2-(1,4-dioxaspiro[4.5]decan-8-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

8-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-1,4-dioxaspiro[4.5]decane | 4,4,5,5-Tetramethyl-2-(1,4-dioxaspiro[4.5]decan-8-yl)-1,3,2-dioxaborolane | 1,4-Dioxaspiro[4.5]decane-8-boronic acid pinacol ester

Standard CAS: 1106871-37-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1106871-37-7
Multi CAS
No
Molecular Formula
C14H25BO4
Molecular Weight
268.160000
Exact Mass
268.184589
SMILES
B1(OC(C(O1)(C)C)(C)C)C2CCC3(CC2)OCCO3
InChI
InChI=1S/C14H25BO4/c1-12(2)13(3,4)19-15(18-12)11-5-7-14(8-6-11)16-9-10-17-14/h11H,5-10H2,1-4H3
InChIKey
JAEUAPKITKWJML-UHFFFAOYSA-N
Synonyms
8-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-1,4-dioxaspiro[4.5]decane 4,4,5,5-Tetramethyl-2-(1,4-dioxaspiro[4.5]decan-8-yl)-1,3,2-dioxaborolane 1,4-Dioxaspiro[4.5]decane-8-boronic acid pinacol ester MFCD14581935 2-(1,4-dioxaspiro[4.5]decan-8-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

Computed Properties

Structural Parameters

Heavy atom count
19
Fraction Csp3
1
Rotatable bonds
1
H-bond acceptors
4
Molar refractivity
72.94
TPSA
36.92

LogP / Solubility

WLOGP
2.77
MLOGP
2.44
XLogP3
2.77
Consensus LogP
2.66
Log S (ESOL)
-3.18
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.76
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.82
Class (SILICOS-IT)
Poorly 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)
-2.39

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
2.5

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