![CAS 2225170-39-6 [2-(METHOXYCARBONYL)-6-METHYLPYRIDIN-4-YL]BORONIC ACID molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/2225170-39-6.gif)
CAS RN: 2225170-39-6
[2-(METHOXYCARBONYL)-6-METHYLPYRIDIN-4-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.20251027 | 5mg / 25mg / 100mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS2225170-39-6
- Purity/Analytical Methods: >99.0%
2225170-39-6 / (2-methoxycarbonyl-6-methyl-4-pyridinyl)boronic acid
Basic Information
CAS
2225170-39-6
Multi CAS
No
Molecular Formula
C8H10BNO4
Molecular Weight
194.980000
Exact Mass
195.070288
SMILES
B(C1=CC(=NC(=C1)C(=O)OC)C)(O)O
InChI
InChI=1S/C8H10BNO4/c1-5-3-6(9(12)13)4-7(10-5)8(11)14-2/h3-4,12-13H,1-2H3
InChIKey
XSFSORCGLDELRQ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.25
Rotatable bonds
2
H-bond acceptors
5
H-bond donors
2
Molar refractivity
50.14
TPSA
79.65
LogP / Solubility
WLOGP
-1.14
MLOGP
-1.01
XLogP3
-1.14
Consensus LogP
-1.1
Log S (ESOL)
-0.51
Class (ESOL)
Very soluble
Log S (Ali)
-0.33
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.22
Class (SILICOS-IT)
Very 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)
-4.72
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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