CAS RN: 2241867-27-4
(5-(methoxy-d3)pyridin-3-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.20250907 | 20mg | Out of stock | 5-7 business days | Inquiry |
- Product code: LINM889630
2241867-27-4 / [5-(trideuteriomethoxy)-3-pyridinyl]boronic acid
Basic Information
CAS
2241867-27-4
Multi CAS
No
Molecular Formula
C6H8BNO3
Molecular Weight
155.960000
Exact Mass
156.078554
SMILES
[2H]C([2H])([2H])OC1=CN=CC(=C1)B(O)O
InChI
InChI=1S/C6H8BNO3/c1-11-6-2-5(7(9)10)3-8-4-6/h2-4,9-10H,1H3/i1D3
InChIKey
ISDFOFZTZUILPE-FIBGUPNXSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.17
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
2
Molar refractivity
40.61
TPSA
62.58
LogP / Solubility
WLOGP
-1.23
MLOGP
-1.09
XLogP3
-1.23
Consensus LogP
-1.18
Log S (ESOL)
-0.29
Class (ESOL)
Very soluble
Log S (Ali)
0.07
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
0.13
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)
-4.53
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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