CAS RN: 947249-41-4
6-AMINOPYRAZINE-2-BORONIC ACID PINACOL ESTER
- Product code: SSC-209894
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: ≥95%
- 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 | ≥95% | 0 Out of Stock | Shenzhen | Inquiry |
947249-41-4 / 6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazin-2-amine
Basic Information
CAS
947249-41-4
Multi CAS
Yes
Molecular Formula
BC10H16N3O2
Molecular Weight
221.070000
Exact Mass
221.133557
InChI
InChI=1S/C10H16BN3O2/c1-9(2)10(3,4)16-11(15-9)7-5-14-8(12)6-13-7/h5-6H,1-4H3,(H2,12,14)
InChIKey
CBNIRWXQQRNRJY-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Aromatic heavy atom count
6
Fraction Csp3
0.6
Rotatable bonds
1
H-bond acceptors
5
H-bond donors
1
Molar refractivity
62.16
TPSA
70.26
LogP / Solubility
WLOGP
0.36
MLOGP
0.32
XLogP3
0.36
Consensus LogP
0.35
Log S (ESOL)
-1.65
Class (ESOL)
Soluble
Log S (Ali)
-1.63
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.51
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)
-3.81
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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