CAS RN: 1228675-27-1
2,3-DIHYDRO-PYRAZINE-1,4-DICARBOXYLIC ACID 1-BENZYL ESTER 4-TERT-BUTYL ESTER
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.20260110 | 100mg / 250mg / 1g / 5g | Out of stock | 8-10 business days | Inquiry |
- Product code: SSC-026508
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 | Hong Kong | Inquiry |
1228675-27-1 / 4-O-benzyl 1-O-tert-butyl 2,3-dihydropyrazine-1,4-dicarboxylate
Basic Information
CAS
1228675-27-1
Multi CAS
No
Molecular Formula
C17H22N2O4
Molecular Weight
318.400000
Exact Mass
318.157957
SMILES
CC(C)(C)OC(=O)N1CCN(C=C1)C(=O)OCC2=CC=CC=C2
InChI
InChI=1S/C17H22N2O4/c1-17(2,3)23-16(21)19-11-9-18(10-12-19)15(20)22-13-14-7-5-4-6-8-14/h4-9,11H,10,12-13H2,1-3H3
InChIKey
FYTYZZKXERCQPI-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
23
Aromatic heavy atom count
6
Fraction Csp3
0.41
Rotatable bonds
2
H-bond acceptors
4
Molar refractivity
85.41
TPSA
59.08
LogP / Solubility
WLOGP
3.35
MLOGP
2.96
XLogP3
2.3
Consensus LogP
2.87
Log S (ESOL)
-3.98
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.59
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.75
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.29
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2.5
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