CAS RN: 2101317-21-7
S-GBOXIN
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.20260324 | 100mg | In stock | Shanghai | Inquiry | |
| Batchno.20260202 | 10mg | In stock | Shanghai | Inquiry | |
| Batchno.20250817 | 1mg | In stock | Shanghai | Inquiry | |
| Batchno.20250215 | 250mg | In stock | Shanghai | Inquiry | |
| Batchno.20260604 | 25mg | In stock | Shanghai | Inquiry | |
| Batchno.20250602 | 50mg | In stock | Shanghai | Inquiry | |
| Batchno.20250228 | 5mg | In stock | Shanghai | Inquiry | |
| Batchno.20250501 | 5mg / 10mg / 25mg / 100mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS2101317-21-7
- Purity/Analytical Methods: >99.0%
2101317-21-7 / [(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] 2-[3-methyl-2-[3-(trifluoromethyl)phenyl]benzimidazol-3-ium-1-yl]acetate iodide
Basic Information
CAS
2101317-21-7
Multi CAS
No
Molecular Formula
C27H32F3IN2O2
Molecular Weight
600.500000
Exact Mass
600.146060
SMILES
C[C@@H]1CC[C@H]([C@@H](C1)OC(=O)CN2C3=CC=CC=C3[N+](=C2C4=CC(=CC=C4)C(F)(F)F)C)C(C)C.[I-]
InChI
InChI=1S/C27H32F3N2O2.HI/c1-17(2)21-13-12-18(3)14-24(21)34-25(33)16-32-23-11-6-5-10-22(23)31(4)26(32)19-8-7-9-20(15-19)27(28,29)30;/h5-11,15,17-18,21,24H,12-14,16H2,1-4H3;1H/q+1;/p-1/t18-,21+,24-;/m1./s1
InChIKey
DCAJNAWCJSUZDG-DZJKTSMVSA-M
Computed Properties
Structural Parameters
Heavy atom count
35
Aromatic heavy atom count
15
Fraction Csp3
0.48
Rotatable bonds
5
H-bond acceptors
3
Molar refractivity
124.78
TPSA
35.11
LogP / Solubility
WLOGP
3.16
MLOGP
2.83
XLogP3
3.16
Consensus LogP
3.05
Log S (ESOL)
-5.54
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.77
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.79
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-4.14
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
4.5
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