CAS RN: 173334-57-1
Aliskiren
Product Availability
Choose a grade to view its available package options.
13 package records11 with current stock3 grade groups
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250219 | 100mg | In stock | Shanghai, Chengdu | Inquiry |
| Batchno.20250824 | 10mg | In stock | Shanghai | Inquiry |
| Batchno.20250115 | 1g | In stock | Shanghai | Inquiry |
| Batchno.20250728 | 1mg | In stock | Shanghai | Inquiry |
| Batchno.20250322 | 250mg | In stock | Shanghai | Inquiry |
| Batchno.20251103 | 50mg | In stock | Shanghai, Chengdu | Inquiry |
| Batchno.20251102 | 5mg | In stock | Shanghai | Inquiry |
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250920 | 1ml | In stock | Inquiry |
- Product code: SSC-076120
Historical Factory Record
Historical Supply Reference
This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.
- Pack sizes on record: 1g
- Available purity: ＞95%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 1g | ＞95% | 0 Out of Stock | Shenzhen | Inquiry |
173334-57-1 / (2S,4S,5S,7S)-5-amino-N-(3-amino-2,2-dimethyl-3-oxopropyl)-4-hydroxy-7-[[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl]-8-methyl-2-propan-2-ylnonanamide
Basic Information
CAS
173334-57-1
Multi CAS
No
Molecular Formula
C30H53N3O6
Molecular Weight
551.800000
Exact Mass
551.393436
SMILES
CC(C)[C@@H](CC1=CC(=C(C=C1)OC)OCCCOC)C[C@@H]([C@H](C[C@@H](C(C)C)C(=O)NCC(C)(C)C(=O)N)O)N
InChI
InChI=1S/C30H53N3O6/c1-19(2)22(14-21-10-11-26(38-8)27(15-21)39-13-9-12-37-7)16-24(31)25(34)17-23(20(3)4)28(35)33-18-30(5,6)29(32)36/h10-11,15,19-20,22-25,34H,9,12-14,16-18,31H2,1-8H3,(H2,32,36)(H,33,35)/t22-,23-,24-,25-/m0/s1
InChIKey
UXOWGYHJODZGMF-QORCZRPOSA-N
Physical Properties
Melting Point
>95
Boiling Point
748.4±60.0
Physical Description
Solid
State
Solid
Computed Properties
Structural Parameters
Heavy atom count
39
Aromatic heavy atom count
6
Fraction Csp3
0.73
Rotatable bonds
19
H-bond acceptors
7
H-bond donors
4
Molar refractivity
154.54
TPSA
146.13
LogP / Solubility
WLOGP
3.29
MLOGP
2.94
XLogP3
3.5
Consensus LogP
3.24
Log S (ESOL)
-4.2
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.46
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.26
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-3.75
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
6
Safety & Transport
Pictogram(s)
Irritant
Environmental Hazard
Signal
Warning
GHS Hazard Statements
H317 (78.7%): May cause an allergic skin reaction [Warning Sensitization, Skin]
H400 (78.7%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]
H410 (78.7%): Very toxic to aquatic life with long lasting effects [Warning Hazardous to the aquatic environment, long-term hazard]
H412 (19.1%): Harmful to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]
Precautionary Statement Codes
P261, P272, P273, P280, P302+P352, P321, P333+P317, P362+P364, P391, and P501
