CAS RN: 312271-03-7
M2I-1
Product Availability
Choose a grade to view its available package options.
6 package records5 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20251230 | 100mg | In stock | Shanghai | Inquiry |
| Batchno.20250117 | 10mg | In stock | Shanghai | Inquiry |
| Batchno.20251205 | 250mg | Out of stock | Inquiry | |
| Batchno.20251108 | 25mg | In stock | Shanghai | Inquiry |
| Batchno.20250716 | 2mg / 5mg / 25mg | Confirm by inquiry | Shanghai | Inquiry |
| Batchno.20250711 | 50mg | In stock | Shanghai | Inquiry |
- Product code: starshine_CAS312271-03-7
- Purity/Analytical Methods: >99.0%
312271-03-7 / 5-[[4-[bis(2-methylpropyl)amino]-3-nitrophenyl]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione
Basic Information
CAS
312271-03-7
Multi CAS
No
Molecular Formula
C19H24N4O4S
Molecular Weight
404.500000
Exact Mass
404.151826
InChI
InChI=1S/C19H24N4O4S/c1-11(2)9-22(10-12(3)4)15-6-5-13(8-16(15)23(26)27)7-14-17(24)20-19(28)21-18(14)25/h5-8,11-12H,9-10H2,1-4H3,(H2,20,21,24,25,28)
InChIKey
BWEKPQUKWLNUKX-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
28
Aromatic heavy atom count
6
Fraction Csp3
0.42
Rotatable bonds
7
H-bond acceptors
6
H-bond donors
2
Molar refractivity
111.85
TPSA
104.58
LogP / Solubility
WLOGP
2.63
MLOGP
2.34
XLogP3
4.2
Consensus LogP
3.06
Log S (ESOL)
-3.7
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.77
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.31
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)
-3.32
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
PAINS alerts
1
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5
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