Aliskiren Hemifumarate
TL;DR: Aliskiren Hemifumarate (CAS 1196835-68-3) is a chemical compound with molecular formula C64H110N6O16 and molecular weight 1218.80 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
bis((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);(E)-but-2-enedioic acid
Also Known As: Aliskiren hemifumarate, Aliskiren fumarate, Tekturna, Enviage, Rasilez
| Molecular Formula | C64H110N6O16 |
|---|---|
| Molecular Weight | 1218.80 g/mol |
| LogP | 6.2988 |
| Topological Polar Surface Area | 366.86 Ų |
| Hydrogen Bond Donors | 10 |
| Hydrogen Bond Acceptors | 16 |
| Rotatable Bonds | 40 |
| Exact Mass | 1218.7979 |
| Heavy Atoms | 86 |
| Complexity | 2201.6833 |
Chemical Identifiers
| CAS Number | 1196835-68-3 |
|---|---|
| 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.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.C(=C/C(=O)O)\C(=O)O |
Product Overview
Aliskiren Hemifumarate (CAS 1196835-68-3), with molecular formula C64H110N6O16 and molecular weight 1218.80 g/mol. IUPAC: bis((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);(E)-but-2-enedioic acid.
Chemical Property Profile of Aliskiren Hemifumarate
Property Insights of Aliskiren Hemifumarate
The XLogP value of 6.2988 indicates that Aliskiren Hemifumarate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 366.86 Ų indicates high polarity, suggesting Aliskiren Hemifumarate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Aliskiren Hemifumarate has 10 hydrogen bond donor(s) and 16 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Aliskiren Hemifumarate?
The CAS number of Aliskiren Hemifumarate is 1196835-68-3.
What is the molecular formula of Aliskiren Hemifumarate?
The molecular formula of Aliskiren Hemifumarate is C64H110N6O16.
What is the molecular weight of Aliskiren Hemifumarate?
The molecular weight of Aliskiren Hemifumarate is 1218.80 g/mol.
Where can I buy Aliskiren Hemifumarate?
You can request a quote for Aliskiren Hemifumarate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Aliskiren Hemifumarate?
Yes, KEHONG BIO provides custom synthesis services for Aliskiren Hemifumarate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.