![CAS 1400589-53-8 4-Morpholinecarboxylicacid,2-[[(7-chloropyrido[3,4-b]pyrazin-5-yl)amino]methyl]-,1,1-dimethylethylester molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1400589-53-8(2).gif)
CAS RN: 1400589-53-8
4-Morpholinecarboxylicacid,2-[[(7-chloropyrido[3,4-b]pyrazin-5-yl)amino]methyl]-,1,1-dimethylethylester
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.20250813 | 100mg / 250mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1400589-53-8
- Purity/Analytical Methods: >99.0%
1400589-53-8 / tert-butyl (2R)-2-[[(7-chloropyrido[3,4-b]pyrazin-5-yl)amino]methyl]morpholine-4-carboxylate
Basic Information
CAS
1400589-53-8
Multi CAS
No
Molecular Formula
C17H22ClN5O3
Molecular Weight
379.800000
Exact Mass
379.141117
SMILES
CC(C)(C)OC(=O)N1CCO[C@@H](C1)CNC2=NC(=CC3=NC=CN=C32)Cl
InChI
InChI=1S/C17H22ClN5O3/c1-17(2,3)26-16(24)23-6-7-25-11(10-23)9-21-15-14-12(8-13(18)22-15)19-4-5-20-14/h4-5,8,11H,6-7,9-10H2,1-3H3,(H,21,22)/t11-/m1/s1
InChIKey
OFZCHVIWFAEDMH-LLVKDONJSA-N
Computed Properties
Structural Parameters
Heavy atom count
26
Aromatic heavy atom count
10
Fraction Csp3
0.53
Rotatable bonds
3
H-bond acceptors
7
H-bond donors
1
Molar refractivity
98.38
TPSA
89.47
LogP / Solubility
WLOGP
2.73
MLOGP
2.42
XLogP3
2
Consensus LogP
2.38
Log S (ESOL)
-4
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.64
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.75
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-3.1
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
3
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