CAS RN: 2225169-12-8
4-Chloropyrimidine-5-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.20250406 | 5mg / 25mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS2225169-12-8
- Purity/Analytical Methods: >99.0%
2225169-12-8 / (4-chloropyrimidin-5-yl)boronic acid
Basic Information
CAS
2225169-12-8
Multi CAS
No
Molecular Formula
C4H4BClN2O2
Molecular Weight
158.350000
Exact Mass
158.005435
SMILES
B(C1=CN=CN=C1Cl)(O)O
InChI
InChI=1S/C4H4BClN2O2/c6-4-3(5(9)10)1-7-2-8-4/h1-2,9-10H
InChIKey
MNXNMDUQWBFIGB-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
10
Aromatic heavy atom count
6
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
2
Molar refractivity
36.87
TPSA
66.24
LogP / Solubility
WLOGP
-1.19
MLOGP
-1.05
XLogP3
-1.19
Consensus LogP
-1.14
Log S (ESOL)
-0.45
Class (ESOL)
Very soluble
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
0.18
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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