CAS RN: 1428882-14-7
4-Cyclopropylpyrimidine-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.20250809 | 1mg / 5mg | Out of stock | 5-7 business days | Inquiry |
- Product code: LINC889913
1428882-14-7 / (4-cyclopropylpyrimidin-5-yl)boronic acid
Basic Information
CAS
1428882-14-7
Multi CAS
No
Molecular Formula
C7H9BN2O2
Molecular Weight
163.970000
Exact Mass
164.075708
SMILES
B(C1=CN=CN=C1C2CC2)(O)O
InChI
InChI=1S/C7H9BN2O2/c11-8(12)6-3-9-4-10-7(6)5-1-2-5/h3-5,11-12H,1-2H2
InChIKey
OXXOWWGOIFVKEG-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.43
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
2
Molar refractivity
43.83
TPSA
66.24
LogP / Solubility
WLOGP
-0.97
MLOGP
-0.85
XLogP3
-0.97
Consensus LogP
-0.93
Log S (ESOL)
-0.49
Class (ESOL)
Very soluble
Log S (Ali)
-0.21
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.16
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)
-4.41
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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