CAS RN: 70421-69-1
CMMT
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.20250402 | 250mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS70421-69-1
- Purity/Analytical Methods: >99.0%
70421-69-1 / 4-chloro-N-methyl-6-morpholin-4-yl-1,3,5-triazin-2-amine
Basic Information
CAS
70421-69-1
Multi CAS
No
Molecular Formula
C8H12CLN5O
Molecular Weight
229.670000
Exact Mass
229.073038
InChI
InChI=1S/C8H12ClN5O/c1-10-7-11-6(9)12-8(13-7)14-2-4-15-5-3-14/h2-5H2,1H3,(H,10,11,12,13)
InChIKey
AFBPTIRLDGHXSR-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Aromatic heavy atom count
6
Fraction Csp3
0.62
Rotatable bonds
2
H-bond acceptors
6
H-bond donors
1
Molar refractivity
57.42
TPSA
63.17
LogP / Solubility
WLOGP
0.4
MLOGP
0.36
XLogP3
1.3
Consensus LogP
0.69
Log S (ESOL)
-1.68
Class (ESOL)
Soluble
Log S (Ali)
-1.73
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.73
Class (SILICOS-IT)
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)
-3.83
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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