CAS RN: 2241025-68-1
MF-094
Product Availability
Choose a grade to view its available package options.
8 package records6 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20250715 | 5mg / 10mg | Out of stock | 5-7 business days | Inquiry |
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20250202 | 100mg | In stock | Shanghai | Inquiry | |
| Batchno.20260305 | 10mg | In stock | Shanghai | Inquiry | |
| Batchno.20251128 | 1mg | In stock | Shanghai | Inquiry | |
| Batchno.20260126 | 250mg | Out of stock | Inquiry | ||
| Batchno.20250426 | 25mg | In stock | Shanghai | Inquiry | |
| Batchno.20260311 | 50mg | In stock | Shanghai | Inquiry | |
| Batchno.20251126 | 5mg | In stock | Shanghai | Inquiry |
- Product code: starshine_CAS2241025-68-1
- Purity/Analytical Methods: >99.0%
2241025-68-1 / N-[(2S)-1-[[5-(tert-butylsulfamoyl)naphthalen-1-yl]amino]-1-oxo-3-phenylpropan-2-yl]cyclohexanecarboxamide
Basic Information
CAS
2241025-68-1
Multi CAS
No
Molecular Formula
C30H37N3O4S
Molecular Weight
535.700000
Exact Mass
535.250478
SMILES
CC(C)(C)NS(=O)(=O)C1=CC=CC2=C1C=CC=C2NC(=O)[C@H](CC3=CC=CC=C3)NC(=O)C4CCCCC4
InChI
InChI=1S/C30H37N3O4S/c1-30(2,3)33-38(36,37)27-19-11-16-23-24(27)17-10-18-25(23)31-29(35)26(20-21-12-6-4-7-13-21)32-28(34)22-14-8-5-9-15-22/h4,6-7,10-13,16-19,22,26,33H,5,8-9,14-15,20H2,1-3H3,(H,31,35)(H,32,34)/t26-/m0/s1
InChIKey
DQXORJHBZHLLTE-SANMLTNESA-N
Computed Properties
Structural Parameters
Heavy atom count
38
Aromatic heavy atom count
16
Fraction Csp3
0.4
Rotatable bonds
8
H-bond acceptors
4
H-bond donors
3
Molar refractivity
151.3
TPSA
104.37
LogP / Solubility
WLOGP
5.16
MLOGP
4.58
XLogP3
5.7
Consensus LogP
5.15
Log S (ESOL)
-6.2
Class (ESOL)
Insoluble
Log S (Ali)
-7.68
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.39
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.32
Drug-likeness / Medicinal Chemistry
Lipinski
No
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.56
Leadlikeness
No
Synthetic Accessibility
5
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