CAS RN: 2222768-84-3
Dynarrestin
Product Availability
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12 package records10 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250706 | 100mg | Out of stock | Inquiry | |
| Batchno.20250215 | 10mg | In stock | Shanghai | Inquiry |
| Batchno.20251109 | 1mg | In stock | Shanghai | Inquiry |
| Batchno.20260109 | 250mg | Out of stock | Inquiry | |
| Batchno.20250619 | 25mg | In stock | Shanghai | Inquiry |
| Batchno.20250526 | 50mg | In stock | Shanghai | Inquiry |
| Batchno.20250410 | 5mg | In stock | Shanghai | Inquiry |
- Product code: starshine_CAS2222768-84-3
- Purity/Analytical Methods: >99.0%
2222768-84-3 / ethyl 4-[4-(diethylamino)phenyl]-2-(2,4-difluoroanilino)-1,3-thiazole-5-carboxylate
Basic Information
CAS
2222768-84-3
Multi CAS
No
Molecular Formula
C22H23F2N3O2S
Molecular Weight
431.500000
Exact Mass
431.147904
SMILES
CCN(CC)C1=CC=C(C=C1)C2=C(SC(=N2)NC3=C(C=C(C=C3)F)F)C(=O)OCC
InChI
InChI=1S/C22H23F2N3O2S/c1-4-27(5-2)16-10-7-14(8-11-16)19-20(21(28)29-6-3)30-22(26-19)25-18-12-9-15(23)13-17(18)24/h7-13H,4-6H2,1-3H3,(H,25,26)
InChIKey
UZNNDDDSGCMQOQ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
30
Aromatic heavy atom count
17
Fraction Csp3
0.27
Rotatable bonds
8
H-bond acceptors
6
H-bond donors
1
Molar refractivity
116.71
TPSA
54.46
LogP / Solubility
WLOGP
5.85
MLOGP
5.18
XLogP3
6.1
Consensus LogP
5.71
Log S (ESOL)
-6.1
Class (ESOL)
Insoluble
Log S (Ali)
-7.33
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.28
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
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)
-1.2
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5
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