CAS RN: 1215107-26-8
5-morpholinopyridin-3-ylboronic 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.20250506 | 1g | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS1215107-26-8
- Purity/Analytical Methods: >99.0%
1215107-26-8 / (5-morpholin-4-yl-3-pyridinyl)boronic acid
Basic Information
CAS
1215107-26-8
Multi CAS
No
Molecular Formula
C9H13BN2O3
Molecular Weight
208.020000
Exact Mass
208.101922
SMILES
B(C1=CC(=CN=C1)N2CCOCC2)(O)O
InChI
InChI=1S/C9H13BN2O3/c13-10(14)8-5-9(7-11-6-8)12-1-3-15-4-2-12/h5-7,13-14H,1-4H2
InChIKey
HRCZUJKYYSOZQT-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Aromatic heavy atom count
6
Fraction Csp3
0.44
Rotatable bonds
2
H-bond acceptors
5
H-bond donors
2
Molar refractivity
57.09
TPSA
65.82
LogP / Solubility
WLOGP
-1.4
MLOGP
-1.23
XLogP3
-1.4
Consensus LogP
-1.34
Log S (ESOL)
-0.41
Class (ESOL)
Very soluble
Log S (Ali)
-0.25
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.09
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)
-4.98
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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