CAS RN: 1427782-89-5
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14 package records9 with current stock3 grade groups
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20250729 | 1ml | In stock | Inquiry |
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20251021 | 100mg | Out of stock | Inquiry | ||
| Batchno.20251026 | 10mg | In stock | Shanghai | Inquiry | |
| Batchno.20250105 | 250mg | Out of stock | Inquiry | ||
| Batchno.20260215 | 25mg | Out of stock | Inquiry | ||
| Batchno.20250524 | 50mg | Out of stock | Inquiry | ||
| Batchno.20260109 | 5mg | In stock | Shanghai | Inquiry | |
| Batchno.20260407 | 5mg / 25mg / 100mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1427782-89-5
- Purity/Analytical Methods: >99.0%
1427782-89-5 / 2-[(4-oxo-3-phenyl-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl)sulfanyl]-N-(5-phenyl-2-pyridinyl)acetamide
Basic Information
CAS
1427782-89-5
Multi CAS
No
Molecular Formula
C25H20N4O2S2
Molecular Weight
472.600000
Exact Mass
472.102768
SMILES
C1CSC2=C1N=C(N(C2=O)C3=CC=CC=C3)SCC(=O)NC4=NC=C(C=C4)C5=CC=CC=C5
InChI
InChI=1S/C25H20N4O2S2/c30-22(28-21-12-11-18(15-26-21)17-7-3-1-4-8-17)16-33-25-27-20-13-14-32-23(20)24(31)29(25)19-9-5-2-6-10-19/h1-12,15H,13-14,16H2,(H,26,28,30)
InChIKey
QESQGTFWEQMCMH-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
33
Aromatic heavy atom count
24
Fraction Csp3
0.12
Rotatable bonds
6
H-bond acceptors
7
H-bond donors
1
Molar refractivity
133.29
TPSA
76.88
LogP / Solubility
WLOGP
4.67
MLOGP
4.15
XLogP3
4.5
Consensus LogP
4.44
Log S (ESOL)
-5.86
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.81
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.33
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)
-2.28
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3.5
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