CAS RN: 773896-53-0
N,N-bis-(tert-butoxycarbonyl)-2,5-bis-methoxycarbonyl-1,4-dihydropyrazine
Product Availability
Available package options are listed below.
1 package records0 with current stock
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250924 | 200mg | Out of stock | 5-7 business days | Inquiry |
- Product code: LINN927331
773896-53-0 / 1-O,4-O-ditert-butyl 2-O,5-O-dimethyl pyrazine-1,2,4,5-tetracarboxylate
Basic Information
CAS
773896-53-0
Multi CAS
No
Molecular Formula
C18H26N2O8
Molecular Weight
398.400000
Exact Mass
398.168916
InChI
InChI=1S/C18H26N2O8/c1-17(2,3)27-15(23)19-9-12(14(22)26-8)20(10-11(19)13(21)25-7)16(24)28-18(4,5)6/h9-10H,1-8H3
InChIKey
FSYAFTAGVDAPMN-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
28
Fraction Csp3
0.56
Rotatable bonds
2
H-bond acceptors
8
Molar refractivity
96.34
TPSA
111.68
LogP / Solubility
WLOGP
2.5
MLOGP
2.23
XLogP3
3
Consensus LogP
2.58
Log S (ESOL)
-3.76
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.63
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.57
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-3.37
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5
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