![CAS 1283180-64-2 4-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyrazinyl]Morpholine molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1283180-64-2.gif)
CAS RN: 1283180-64-2
4-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyrazinyl]Morpholine
- Product code: SSC-035634
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: 0.25g
- 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 |
|---|---|---|---|---|
| 0.25g | ≥95% | 0 Out of Stock | Shenzhen | Inquiry |
1283180-64-2 / 4-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazin-2-yl]morpholine
Basic Information
CAS
1283180-64-2
Multi CAS
No
Molecular Formula
C14H22BN3O3
Molecular Weight
291.160000
Exact Mass
291.175422
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CN=C(C=N2)N3CCOCC3
InChI
InChI=1S/C14H22BN3O3/c1-13(2)14(3,4)21-15(20-13)11-9-17-12(10-16-11)18-5-7-19-8-6-18/h9-10H,5-8H2,1-4H3
InChIKey
VIKHOGFHLCSSDL-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
21
Aromatic heavy atom count
6
Fraction Csp3
0.71
Rotatable bonds
2
H-bond acceptors
6
Molar refractivity
80.78
TPSA
56.71
LogP / Solubility
WLOGP
0.61
MLOGP
0.55
XLogP3
0.61
Consensus LogP
0.59
Log S (ESOL)
-2.11
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.39
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.3
Class (SILICOS-IT)
Moderately 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)
-4.06
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
2.5
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![CAS 1283598-36-6 4,7-Bis(5-broMo-4-octylthiophen-2-yl)-5,6-difluorobenzo[c][1,2,5] thiadiazole molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1283598-36-6.gif)
