CAS RN: 1242137-16-1
N-desMethyl EnzalutaMide
Product Availability
Choose a grade to view its available package options.
8 package records7 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20260401 | 100mg | In stock | Shanghai | Inquiry | |
| Batchno.20260319 | 10mg | In stock | Shanghai | Inquiry | |
| Batchno.20260408 | 10mg | Out of stock | 5-7 business days | Inquiry | |
| Batchno.20260315 | 250mg | In stock | Shanghai | Inquiry | |
| Batchno.20260309 | 25mg | In stock | Shanghai | Inquiry | |
| Batchno.20260429 | 50mg | In stock | Shanghai | Inquiry | |
| Batchno.20250707 | 5mg | In stock | Shanghai | Inquiry | |
| Batchno.20260310 | 5mg | In stock | Shanghai, Shandong | Inquiry |
- Product code: starshine_CAS1242137-16-1
- Purity/Analytical Methods: >99.0%
1242137-16-1 / 4-[3-[4-cyano-3-(trifluoromethyl)phenyl]-5,5-dimethyl-4-oxo-2-sulfanylideneimidazolidin-1-yl]-2-fluorobenzamide
Basic Information
CAS
1242137-16-1
Multi CAS
No
Molecular Formula
C20H14F4N4O2S
Molecular Weight
450.400000
Exact Mass
450.077360
SMILES
CC1(C(=O)N(C(=S)N1C2=CC(=C(C=C2)C(=O)N)F)C3=CC(=C(C=C3)C#N)C(F)(F)F)C
InChI
InChI=1S/C20H14F4N4O2S/c1-19(2)17(30)27(11-4-3-10(9-25)14(7-11)20(22,23)24)18(31)28(19)12-5-6-13(16(26)29)15(21)8-12/h3-8H,1-2H3,(H2,26,29)
InChIKey
JSFOGZGIBIQRPU-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
31
Aromatic heavy atom count
12
Fraction Csp3
0.2
Rotatable bonds
3
H-bond acceptors
4
H-bond donors
1
Molar refractivity
107.72
TPSA
90.43
LogP / Solubility
WLOGP
3.73
MLOGP
3.31
XLogP3
3.2
Consensus LogP
3.41
Log S (ESOL)
-5.07
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.95
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.05
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.82
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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