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CAS 230299-46-4 Bis(2,4-dimethylpentane-2,4-glycolato)diboron molecular structure lightbox
CAS RN: 230299-46-4

Bis(2,4-dimethylpentane-2,4-glycolato)diboron

  • Product code: SSC-111822
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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: 25g
  • 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 230299-46-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
25g ＞97% 0 Out of Stock Shanghai Inquiry

230299-46-4 / 4,4,6,6-tetramethyl-2-(4,4,6,6-tetramethyl-1,3,2-dioxaborinan-2-yl)-1,3,2-dioxaborinane

Standard CAS: 230299-46-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
230299-46-4
Multi CAS
No
Molecular Formula
C14H28B2O4
Molecular Weight
282.000000
Exact Mass
282.217370
SMILES
B1(OC(CC(O1)(C)C)(C)C)B2OC(CC(O2)(C)C)(C)C
InChI
InChI=1S/C14H28B2O4/c1-11(2)9-12(3,4)18-15(17-11)16-19-13(5,6)10-14(7,8)20-16/h9-10H2,1-8H3
InChIKey
CZLUUPDJUFXXHF-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
20
Fraction Csp3
1
Rotatable bonds
1
H-bond acceptors
4
Molar refractivity
81.4
TPSA
36.92

LogP / Solubility

WLOGP
3.03
MLOGP
2.68
XLogP3
3.03
Consensus LogP
2.91
Log S (ESOL)
-3.43
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.06
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.13
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)
-2.29

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5

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