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CAS 223418-73-3 1,3-Dimethyluracil-5-boronic acid molecular structure lightbox
CAS RN: 223418-73-3

1,3-Dimethyluracil-5-boronic acid

  • Product code: SSC-108934
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Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 0.1g, 0.25g, 1g
  • Available purity: ≥95%
  • Inventory rows with stock: 3
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 223418-73-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ≥95% 2 In Stock Beijing Inquiry
0.25g ≥95% 2 In Stock Beijing Inquiry
1g ≥95% 2 In Stock Shenzhen Inquiry

223418-73-3 / (1,3-dimethyl-2,4-dioxopyrimidin-5-yl)boronic acid

Standard CAS: 223418-73-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
223418-73-3
Multi CAS
No
Molecular Formula
C6H9BN2O4
Molecular Weight
183.960000
Exact Mass
184.065537
SMILES
B(C1=CN(C(=O)N(C1=O)C)C)(O)O
InChI
InChI=1S/C6H9BN2O4/c1-8-3-4(7(12)13)5(10)9(2)6(8)11/h3,12-13H,1-2H3
InChIKey
YTOIPKGEWGCXCG-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.33
Rotatable bonds
1
H-bond acceptors
6
H-bond donors
2
Molar refractivity
46.75
TPSA
84.46

LogP / Solubility

WLOGP
-3.24
MLOGP
-2.85
XLogP3
-3.24
Consensus LogP
-3.11
Log S (ESOL)
0.78
Class (ESOL)
Highly soluble
Log S (Ali)
1.27
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
1.71
Class (SILICOS-IT)
Highly soluble

ADME

GI absorption
Low
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)
-6.14

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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