CAS RN: 1355326-21-4
Mutant IDH1-IN-1
Product Availability
Choose a grade to view its available package options.
8 package records2 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20250727 | 5mg / 25mg | Out of stock | 5-7 business days | Inquiry |
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20250224 | 100mg | Out of stock | Inquiry | ||
| Batchno.20260224 | 10mg | Out of stock | Inquiry | ||
| Batchno.20260115 | 250mg | Out of stock | Inquiry | ||
| Batchno.20250707 | 25mg | Out of stock | Inquiry | ||
| Batchno.20251220 | 2mg | In stock | Shanghai | Inquiry | |
| Batchno.20260117 | 50mg | Out of stock | Inquiry | ||
| Batchno.20250907 | 5mg | In stock | Shanghai | Inquiry |
- Product code: starshine_CAS1355326-21-4
- Purity/Analytical Methods: >99.0%
1355326-21-4 / 2-(N-[2-(benzimidazol-1-yl)acetyl]-3-fluoroanilino)-N-cyclohexyl-2-(2-methylphenyl)acetamide
Basic Information
CAS
1355326-21-4
Multi CAS
No
Molecular Formula
C30H31FN4O2
Molecular Weight
498.600000
Exact Mass
498.243104
SMILES
CC1=CC=CC=C1C(C(=O)NC2CCCCC2)N(C3=CC(=CC=C3)F)C(=O)CN4C=NC5=CC=CC=C54
InChI
InChI=1S/C30H31FN4O2/c1-21-10-5-6-15-25(21)29(30(37)33-23-12-3-2-4-13-23)35(24-14-9-11-22(31)18-24)28(36)19-34-20-32-26-16-7-8-17-27(26)34/h5-11,14-18,20,23,29H,2-4,12-13,19H2,1H3,(H,33,37)
InChIKey
DXYIOARJXVTYJW-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
37
Aromatic heavy atom count
21
Fraction Csp3
0.3
Rotatable bonds
7
H-bond acceptors
4
H-bond donors
1
Molar refractivity
142.55
TPSA
67.23
LogP / Solubility
WLOGP
5.71
MLOGP
5.06
XLogP3
5.9
Consensus LogP
5.56
Log S (ESOL)
-6.48
Class (ESOL)
Insoluble
Log S (Ali)
-7.77
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.48
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)
-1.71
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
5.5
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