CAS RN: 2241867-45-6
(2-(methoxy-d3)pyrimidin-5-yl)boronic acid
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20260222 | 5mg / 25mg / 100mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS2241867-45-6
- Purity/Analytical Methods: >99.0%
2241867-45-6 / [2-(trideuteriomethoxy)pyrimidin-5-yl]boronic acid
Basic Information
CAS
2241867-45-6
Multi CAS
No
Molecular Formula
C5H7BN2O3
Molecular Weight
156.950000
Exact Mass
157.073803
SMILES
[2H]C([2H])([2H])OC1=NC=C(C=N1)B(O)O
InChI
InChI=1S/C5H7BN2O3/c1-11-5-7-2-4(3-8-5)6(9)10/h2-3,9-10H,1H3/i1D3
InChIKey
YPWAJLGHACDYQS-FIBGUPNXSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.2
Rotatable bonds
2
H-bond acceptors
5
H-bond donors
2
Molar refractivity
38.41
TPSA
75.47
LogP / Solubility
WLOGP
-1.83
MLOGP
-1.62
XLogP3
-1.83
Consensus LogP
-1.76
Log S (ESOL)
0.09
Class (ESOL)
Highly soluble
Log S (Ali)
0.5
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
0.62
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)
-4.96
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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![CAS 2242502-19-6 2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2,3-dihydrobenzo[d][1,3,2]diazaborinin-4(1H)-one molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/2242502-19-6.gif)
