CAS RN: 2304634-31-7
2-Methoxypyridine-4-Boronic Acid Hydrochloride(WX654032)
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.20260505 | 1g / 5g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS2304634-31-7
- Purity/Analytical Methods: >99.0%
2304634-31-7 / (2-methoxy-4-pyridinyl)boronic acid;hydrochloride
Basic Information
CAS
2304634-31-7
Multi CAS
No
Molecular Formula
C6H9BClNO3
Molecular Weight
189.410000
Exact Mass
189.036401
SMILES
B(C1=CC(=NC=C1)OC)(O)O.Cl
InChI
InChI=1S/C6H8BNO3.ClH/c1-11-6-4-5(7(9)10)2-3-8-6;/h2-4,9-10H,1H3;1H
InChIKey
RSHDOVPDBWJNNM-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.17
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
2
Molar refractivity
47.86
TPSA
62.58
LogP / Solubility
WLOGP
-0.81
MLOGP
-0.71
XLogP3
-0.81
Consensus LogP
-0.78
Log S (ESOL)
-0.74
Class (ESOL)
Very soluble
Log S (Ali)
-0.53
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.46
Class (SILICOS-IT)
Very soluble
ADME
GI absorption
Low
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-4.45
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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