CAS RN: 1264510-78-2
2-Phenylpyrimidine-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.20250709 | 5mg / 25mg / 100mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1264510-78-2
- Purity/Analytical Methods: >99.0%
1264510-78-2 / (2-phenylpyrimidin-5-yl)boronic acid
Basic Information
CAS
1264510-78-2
Multi CAS
No
Molecular Formula
C10H9BN2O2
Molecular Weight
200.000000
Exact Mass
200.075708
SMILES
B(C1=CN=C(N=C1)C2=CC=CC=C2)(O)O
InChI
InChI=1S/C10H9BN2O2/c14-11(15)9-6-12-10(13-7-9)8-4-2-1-3-5-8/h1-7,14-15H
InChIKey
JURHQJGHFQQNTI-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Aromatic heavy atom count
12
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
2
Molar refractivity
57.29
TPSA
66.24
LogP / Solubility
WLOGP
-0.18
MLOGP
-0.16
XLogP3
-0.18
Consensus LogP
-0.17
Log S (ESOL)
-1.43
Class (ESOL)
Soluble
Log S (Ali)
-1.07
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.05
Class (SILICOS-IT)
Soluble
ADME
GI absorption
High
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)
-4.07
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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