Enalkiren
TL;DR: Enalkiren (CAS 113082-98-7) is a chemical compound with molecular formula C35H56N6O6 and molecular weight 656.43 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-amino-N-[(2S)-1-[[(2S)-1-[[(2S,3R,4S)-1-cyclohexyl-3,4-dihydroxy-6-methylheptan-2-yl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]amino]-3-(4-methoxyphenyl)-1-oxopropan-2-yl]-3-methylbutanamide
Also Known As: ENALKIREN, Enalquireno, Enalkirene, Enalkirenum, Enalkireno
| Molecular Formula | C35H56N6O6 |
|---|---|
| Molecular Weight | 656.43 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 192.0 Ų |
| Hydrogen Bond Donors | 7 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 18 |
| Exact Mass | 656.42615 |
| Heavy Atoms | 47 |
| Complexity | 968.0 |
Chemical Identifiers
| CAS Number | 113082-98-7 |
|---|---|
| SMILES | CC(C)C[C@@H]([C@@H]([C@H](CC1CCCCC1)NC(=O)[C@H](CC2=CN=CN2)NC(=O)[C@H](CC3=CC=C(C=C3)OC)NC(=O)CC(C)(C)N)O)O |
| InChIKey | KQXVERRYBYGQJZ-WRPDIKACSA-N |
Patent-Derived Application Labels
Derived from 9 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Enalkiren (CAS 113082-98-7), with molecular formula C35H56N6O6 and molecular weight 656.43 g/mol. IUPAC: 3-amino-N-[(2S)-1-[[(2S)-1-[[(2S,3R,4S)-1-cyclohexyl-3,4-dihydroxy-6-methylheptan-2-yl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]amino]-3-(4-methoxyphenyl)-1-oxopropan-2-yl]-3-methylbutanamide.
Chemical Property Profile of Enalkiren
Property Insights of Enalkiren
The XLogP value of 3.6 indicates that Enalkiren is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 192.0 Ų indicates high polarity, suggesting Enalkiren may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Enalkiren has 7 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Enalkiren?
The CAS number of Enalkiren is 113082-98-7.
What is the molecular formula of Enalkiren?
The molecular formula of Enalkiren is C35H56N6O6.
What is the molecular weight of Enalkiren?
The molecular weight of Enalkiren is 656.43 g/mol.
Where can I buy Enalkiren?
You can request a quote for Enalkiren directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Enalkiren?
Yes, KEHONG BIO provides custom synthesis services for Enalkiren and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.