CAS RN: 1228960-69-7
MLN0905
Product Availability
Choose a grade to view its available package options.
8 package records5 with current stock3 grade groups
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20260603 | 1mg / 5mg / 25mg / 100mg | Out of stock | 5-7 business days | Inquiry |
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20251231 | 10mg | In stock | Shanghai | Inquiry | |
| Batchno.20251202 | 1mg | In stock | Shanghai | Inquiry | |
| Batchno.20260213 | 25mg | Out of stock | Inquiry | ||
| Batchno.20260701 | 2mg | In stock | Shanghai | Inquiry | |
| Batchno.20250604 | 50mg | In stock | Shanghai | Inquiry | |
| Batchno.20260412 | 5mg | Out of stock | Inquiry |
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20260421 | 1ml | In stock | Inquiry |
- Product code: starshine_CAS1228960-69-7
- Purity/Analytical Methods: >99.0%
1228960-69-7 / 2-[[5-[3-(dimethylamino)propyl]-2-methyl-3-pyridinyl]amino]-9-(trifluoromethyl)-5,7-dihydropyrimido[5,4-d][1]benzazepine-6-thione
Basic Information
CAS
1228960-69-7
Multi CAS
No
Molecular Formula
C24H25F3N6S
Molecular Weight
486.600000
Exact Mass
486.181350
SMILES
CC1=C(C=C(C=N1)CCCN(C)C)NC2=NC=C3CC(=S)NC4=C(C3=N2)C=CC(=C4)C(F)(F)F
InChI
InChI=1S/C24H25F3N6S/c1-14-19(9-15(12-28-14)5-4-8-33(2)3)31-23-29-13-16-10-21(34)30-20-11-17(24(25,26)27)6-7-18(20)22(16)32-23/h6-7,9,11-13H,4-5,8,10H2,1-3H3,(H,30,34)(H,29,31,32)
InChIKey
CODBZFJPKJDNDT-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
34
Aromatic heavy atom count
18
Fraction Csp3
0.33
Rotatable bonds
6
H-bond acceptors
6
H-bond donors
2
Molar refractivity
131.53
TPSA
65.97
LogP / Solubility
WLOGP
5.4
MLOGP
4.79
XLogP3
4.1
Consensus LogP
4.76
Log S (ESOL)
-6.25
Class (ESOL)
Insoluble
Log S (Ali)
-7.45
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.02
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.85
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3
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