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CAS 701261-35-0 Neopentylboronic acid molecular structure lightbox
CAS RN: 701261-35-0

Neopentylboronic acid

Product Availability

Choose a grade to view its available package options.

6 package records6 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260312 100g In stock Shanghai Inquiry
Batchno.20260202 10g In stock Shanghai, Shenzhen, Chengdu Inquiry
Batchno.20260525 1g In stock Shanghai, Shenzhen Inquiry
Batchno.20250509 250mg In stock Shanghai, Tianjin, Wuhan, Chengdu Inquiry
Batchno.20260115 25g In stock Shanghai, Shenzhen, Wuhan Inquiry
Batchno.20250917 5g In stock Shanghai, Shenzhen, Tianjin, Chengdu Inquiry
  • Product code: SSC-179936
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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: 10g, 25g
  • 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 701261-35-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
10g ≥95% 0 Out of Stock Hong Kong Inquiry
25g ≥95% 0 Out of Stock Hong Kong Inquiry

701261-35-0 / 2,2-dimethylpropylboronic acid

Standard CAS: 701261-35-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
701261-35-0
Multi CAS
No
Molecular Formula
BC5H13O2
Molecular Weight
115.970000
Exact Mass
116.100860
InChI
InChI=1S/C5H13BO2/c1-5(2,3)4-6(7)8/h7-8H,4H2,1-3H3
InChIKey
VCPOZKMTAGEGOT-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
8
Fraction Csp3
1
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
2
Molar refractivity
34.45
TPSA
40.46

LogP / Solubility

WLOGP
0.51
MLOGP
0.43
XLogP3
0.51
Consensus LogP
0.48
Log S (ESOL)
-0.81
Class (ESOL)
Very soluble
Log S (Ali)
-0.88
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.95
Class (SILICOS-IT)
Very 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)
-3.07

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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