Elisartan
TL;DR: Elisartan (CAS 158682-68-9) is a chemical compound with molecular formula C27H29ClN6O5 and molecular weight 552.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-ethoxycarbonyloxyethyl 2-butyl-5-chloro-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazole-4-carboxylate
Also Known As: Elisartan, elisartanum, Elisartan [INN], Elisartan potassium, 1-ethoxycarbonyloxyethyl 2-butyl-5-chloro-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazole-4-carboxylate
| Molecular Formula | C27H29ClN6O5 |
|---|---|
| Molecular Weight | 552.19 g/mol |
| LogP | 6.5 |
| Topological Polar Surface Area | 134.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 14 |
| Exact Mass | 552.1888 |
| Heavy Atoms | 39 |
| Complexity | 788.0 |
Chemical Identifiers
| CAS Number | 158682-68-9 |
|---|---|
| SMILES | CCCCC1=NC(=C(N1CC2=CC=C(C=C2)C3=CC=CC=C3C4=NNN=N4)C(=O)OC(C)OC(=O)OCC)Cl |
| InChIKey | IDAWWPOAHPVPMY-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Elisartan (CAS 158682-68-9), with molecular formula C27H29ClN6O5 and molecular weight 552.19 g/mol. IUPAC: 1-ethoxycarbonyloxyethyl 2-butyl-5-chloro-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazole-4-carboxylate.
Chemical Property Profile of Elisartan
Property Insights of Elisartan
The XLogP value of 6.5 indicates that Elisartan is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 134.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Elisartan. Following Lipinski's Rule of Five, Elisartan has 1 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Elisartan?
The CAS number of Elisartan is 158682-68-9.
What is the molecular formula of Elisartan?
The molecular formula of Elisartan is C27H29ClN6O5.
What is the molecular weight of Elisartan?
The molecular weight of Elisartan is 552.19 g/mol.
Where can I buy Elisartan?
You can request a quote for Elisartan directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Elisartan?
Yes, KEHONG BIO provides custom synthesis services for Elisartan and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.