Methyl5-(1-pyrrolidinyl)-2-pyrazinecarboxylate
TL;DR: Methyl5-(1-pyrrolidinyl)-2-pyrazinecarboxylate (CAS 6533-68-2) is a chemical compound with molecular formula C17H28BrNO7 and molecular weight 437.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(9-methyl-3-oxa-9-azatricyclo[3.3.1.02,4]nonan-7-yl) (2S)-3-hydroxy-2-phenylpropanoate;trihydrate;hydrobromide
Also Known As: Scopolamine hydrobromide, Methyl5-(1-pyrrolidinyl)-2-pyrazinecarboxylate, (9-methyl-3-oxa-9-azatricyclo[3.3.1.02,4]nonan-7-yl) (2S)-3-hydroxy-2-phenylpropanoate;trihydrate;hydrobromide
| Molecular Formula | C17H28BrNO7 |
|---|---|
| Molecular Weight | 437.10 g/mol |
| LogP | -0.9781 |
| Topological Polar Surface Area | 156.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 437.10492 |
| Heavy Atoms | 26 |
| Complexity | 557.4896 |
Chemical Identifiers
| CAS Number | 6533-68-2 |
|---|---|
| SMILES | CN1C2CC(CC1C3C2O3)OC(=O)[C@H](CO)C4=CC=CC=C4.O.O.O.Br |
Product Overview
Methyl5-(1-pyrrolidinyl)-2-pyrazinecarboxylate (CAS 6533-68-2), with molecular formula C17H28BrNO7 and molecular weight 437.10 g/mol. IUPAC: (9-methyl-3-oxa-9-azatricyclo[3.3.1.02,4]nonan-7-yl) (2S)-3-hydroxy-2-phenylpropanoate;trihydrate;hydrobromide.
Chemical Property Profile of Methyl5-(1-pyrrolidinyl)-2-pyrazinecarboxylate
Property Insights of Methyl5-(1-pyrrolidinyl)-2-pyrazinecarboxylate
The XLogP value of -0.9781 indicates that Methyl5-(1-pyrrolidinyl)-2-pyrazinecarboxylate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 156.8 Ų indicates high polarity, suggesting Methyl5-(1-pyrrolidinyl)-2-pyrazinecarboxylate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Methyl5-(1-pyrrolidinyl)-2-pyrazinecarboxylate has 1 hydrogen bond donor(s) and 5 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 Methyl5-(1-pyrrolidinyl)-2-pyrazinecarboxylate?
The CAS number of Methyl5-(1-pyrrolidinyl)-2-pyrazinecarboxylate is 6533-68-2.
What is the molecular formula of Methyl5-(1-pyrrolidinyl)-2-pyrazinecarboxylate?
The molecular formula of Methyl5-(1-pyrrolidinyl)-2-pyrazinecarboxylate is C17H28BrNO7.
What is the molecular weight of Methyl5-(1-pyrrolidinyl)-2-pyrazinecarboxylate?
The molecular weight of Methyl5-(1-pyrrolidinyl)-2-pyrazinecarboxylate is 437.10 g/mol.
Where can I buy Methyl5-(1-pyrrolidinyl)-2-pyrazinecarboxylate?
You can request a quote for Methyl5-(1-pyrrolidinyl)-2-pyrazinecarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl5-(1-pyrrolidinyl)-2-pyrazinecarboxylate?
Yes, KEHONG BIO provides custom synthesis services for Methyl5-(1-pyrrolidinyl)-2-pyrazinecarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.