![CAS 2448341-58-8 Thieno[2′,3′:4,5]pyrrolo[1,2-d][1,2,4]triazine-7(8H)-acetamide, N-[3-(diethylamino)propyl]-5,9-dimethyl-8-oxo- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/2448341-58-8.gif)
CAS RN: 2448341-58-8
Thieno[2′,3′:4,5]pyrrolo[1,2-d][1,2,4]triazine-7(8H)-acetamide, N-[3-(diethylamino)propyl]-5,9-dimethyl-8-oxo-
Product Availability
Choose a grade to view its available package options.
6 package records5 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20250501 | 10mg | In stock | Shanghai | Inquiry | |
| Batchno.20250820 | 1mg | In stock | Shanghai | Inquiry | |
| Batchno.20260409 | 1mg / 5mg | Out of stock | 8-10 business days | Inquiry | |
| Batchno.20250714 | 25mg | In stock | Shanghai | Inquiry | |
| Batchno.20251124 | 50mg | In stock | Shanghai | Inquiry | |
| Batchno.20250519 | 5mg | In stock | Shanghai | Inquiry |
- Product code: starshine_CAS2448341-58-8
- Purity/Analytical Methods: >99.0%
2448341-58-8 / N-[3-(diethylamino)propyl]-2-(7,12-dimethyl-9-oxo-5-thia-1,10,11-triazatricyclo[6.4.0.02,6]dodeca-2(6),3,7,11-tetraen-10-yl)acetamide
Basic Information
CAS
2448341-58-8
Multi CAS
No
Molecular Formula
C19H27N5O2S
Molecular Weight
389.500000
Exact Mass
389.188546
SMILES
CCN(CC)CCCNC(=O)CN1C(=O)C2=C(C3=C(N2C(=N1)C)C=CS3)C
InChI
InChI=1S/C19H27N5O2S/c1-5-22(6-2)10-7-9-20-16(25)12-23-19(26)17-13(3)18-15(8-11-27-18)24(17)14(4)21-23/h8,11H,5-7,9-10,12H2,1-4H3,(H,20,25)
InChIKey
KNZQAVKYBBYDKV-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
27
Aromatic heavy atom count
12
Fraction Csp3
0.53
Rotatable bonds
8
H-bond acceptors
7
H-bond donors
1
Molar refractivity
109.72
TPSA
71.64
LogP / Solubility
WLOGP
2.18
MLOGP
1.94
XLogP3
2.3
Consensus LogP
2.14
Log S (ESOL)
-3.43
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.32
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.96
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.55
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
2.5
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