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CAS 306935-93-3 2,4-DITERT-BUTOXYPYRIMIDIN-5-YLBORONIC ACID molecular structure lightbox
CAS RN: 306935-93-3

2,4-DITERT-BUTOXYPYRIMIDIN-5-YLBORONIC ACID

  • Product code: SSC-135586
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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 306935-93-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

306935-93-3 / [2,4-bis[(2-methylpropan-2-yl)oxy]pyrimidin-5-yl]boronic acid

Standard CAS: 306935-93-3 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
306935-93-3
Multi CAS
Yes
Molecular Formula
BC12H21N2O4
Molecular Weight
268.120000
Exact Mass
268.159437
InChI
InChI=1S/C12H21BN2O4/c1-11(2,3)18-9-8(13(16)17)7-14-10(15-9)19-12(4,5)6/h7,16-17H,1-6H3
InChIKey
SOJAZSRAXNFWRH-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
19
Aromatic heavy atom count
6
Fraction Csp3
0.67
Rotatable bonds
3
H-bond acceptors
6
H-bond donors
2
Molar refractivity
72.62
TPSA
84.7

LogP / Solubility

WLOGP
0.51
MLOGP
0.46
XLogP3
0.51
Consensus LogP
0.49
Log S (ESOL)
-1.86
Class (ESOL)
Soluble
Log S (Ali)
-2.13
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.19
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.99

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
1.5

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