![CAS 1415792-84-5 (S)-7-(4-(1-(methylsulfonyl)piperidin-4-yl)phenyl)-N-(morpholin-2-ylmethyl)pyrido[3,4-b]pyrazin-5-amine molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1415792-84-5.gif)
CAS RN: 1415792-84-5
(S)-7-(4-(1-(methylsulfonyl)piperidin-4-yl)phenyl)-N-(morpholin-2-ylmethyl)pyrido[3,4-b]pyrazin-5-amine
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.20250419 | 25mg / 100mg / 250mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1415792-84-5
- Purity/Analytical Methods: >99.0%
1415792-84-5 / 7-[4-(1-methylsulfonylpiperidin-4-yl)phenyl]-N-[[(2S)-morpholin-2-yl]methyl]pyrido[3,4-b]pyrazin-5-amine
Basic Information
CAS
1415792-84-5
Multi CAS
No
Molecular Formula
C24H30N6O3S
Molecular Weight
482.600000
Exact Mass
482.210010
SMILES
CS(=O)(=O)N1CCC(CC1)C2=CC=C(C=C2)C3=CC4=NC=CN=C4C(=N3)NC[C@@H]5CNCCO5
InChI
InChI=1S/C24H30N6O3S/c1-34(31,32)30-11-6-18(7-12-30)17-2-4-19(5-3-17)21-14-22-23(27-9-8-26-22)24(29-21)28-16-20-15-25-10-13-33-20/h2-5,8-9,14,18,20,25H,6-7,10-13,15-16H2,1H3,(H,28,29)/t20-/m0/s1
InChIKey
NJIAKNWTIVDSDA-FQEVSTJZSA-N
Computed Properties
Structural Parameters
Heavy atom count
34
Aromatic heavy atom count
16
Fraction Csp3
0.46
Rotatable bonds
6
H-bond acceptors
8
H-bond donors
2
Molar refractivity
132.26
TPSA
109.34
LogP / Solubility
WLOGP
2.23
MLOGP
2
XLogP3
1.2
Consensus LogP
1.81
Log S (ESOL)
-4.19
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.13
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.37
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
No
Log Kp (skin permeation)
-4.08
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
4
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