CAS RN: 1312942-14-5
2-(CyclopropylaMino)pyriMidine-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.20260622 | 100mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: SSC-038081
Historical Factory Record
Historical Supply Reference
This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.
- Pack sizes on record: 1g
- Available purity: ＞97%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 1g | ＞97% | 0 Out of Stock | Beijing | Inquiry |
1312942-14-5 / [2-(cyclopropylamino)pyrimidin-5-yl]boronic acid
Basic Information
CAS
1312942-14-5
Multi CAS
No
Molecular Formula
C7H10BN3O2
Molecular Weight
178.990000
Exact Mass
179.086607
SMILES
B(C1=CN=C(N=C1)NC2CC2)(O)O
InChI
InChI=1S/C7H10BN3O2/c12-8(13)5-3-9-7(10-4-5)11-6-1-2-6/h3-4,6,12-13H,1-2H2,(H,9,10,11)
InChIKey
QJEUYETUMSOZKR-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.43
Rotatable bonds
3
H-bond acceptors
5
H-bond donors
3
Molar refractivity
48.5
TPSA
78.27
LogP / Solubility
WLOGP
-1.27
MLOGP
-1.12
XLogP3
-1.27
Consensus LogP
-1.22
Log S (ESOL)
-0.29
Class (ESOL)
Very soluble
Log S (Ali)
-0.11
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.13
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)
-4.71
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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