Perindopril erbumine monohydrate
TL;DR: Perindopril erbumine monohydrate (CAS 690267-97-1) is a chemical compound with molecular formula C23H45N3O6 and molecular weight 459.33 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S,3aS,7aS)-1-[(2S)-2-[[(2S)-1-ethoxy-1-oxopentan-2-yl]amino]propanoyl]-2,3,3a,4,5,6,7,7a-octahydroindole-2-carboxylic acid;2-methylpropan-2-amine;hydrate
Also Known As: Perindopril erbumine monohydrate, 1H-INDOLE-2-CARBOXYLIC ACID, 1-((2S)-2-(((1S)-1-(ETHOXYCARBONYL)BUTYL)AMINO)-1-OXOPROPYL)OCTAHYDRO-, (2S,3AS,7AS)-, COMPD. WITH 2-METHYL-2-PROPANAMINE, HYDRATE (1:1:1)
| Molecular Formula | C23H45N3O6 |
|---|---|
| Molecular Weight | 459.33 g/mol |
| LogP | 1.8595 |
| Topological Polar Surface Area | 153.46 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 459.33084 |
| Heavy Atoms | 32 |
| Complexity | 601.02936 |
Chemical Identifiers
| CAS Number | 690267-97-1 |
|---|---|
| SMILES | CCC[C@@H](C(=O)OCC)N[C@@H](C)C(=O)N1[C@H]2CCCC[C@H]2C[C@H]1C(=O)O.CC(C)(C)N.O |
Product Overview
Perindopril erbumine monohydrate (CAS 690267-97-1), with molecular formula C23H45N3O6 and molecular weight 459.33 g/mol. IUPAC: (2S,3aS,7aS)-1-[(2S)-2-[[(2S)-1-ethoxy-1-oxopentan-2-yl]amino]propanoyl]-2,3,3a,4,5,6,7,7a-octahydroindole-2-carboxylic acid;2-methylpropan-2-amine;hydrate.
Chemical Property Profile of Perindopril erbumine monohydrate
Property Insights of Perindopril erbumine monohydrate
The XLogP value of 1.8595 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Perindopril erbumine monohydrate. The TPSA of 153.46 Ų indicates high polarity, suggesting Perindopril erbumine monohydrate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Perindopril erbumine monohydrate has 3 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Perindopril erbumine monohydrate?
The CAS number of Perindopril erbumine monohydrate is 690267-97-1.
What is the molecular formula of Perindopril erbumine monohydrate?
The molecular formula of Perindopril erbumine monohydrate is C23H45N3O6.
What is the molecular weight of Perindopril erbumine monohydrate?
The molecular weight of Perindopril erbumine monohydrate is 459.33 g/mol.
Where can I buy Perindopril erbumine monohydrate?
You can request a quote for Perindopril erbumine monohydrate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Perindopril erbumine monohydrate?
Yes, KEHONG BIO provides custom synthesis services for Perindopril erbumine monohydrate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.