Arecaidine hydrobromide
TL;DR: Arecaidine hydrobromide (CAS 6013-57-6) is a chemical compound with molecular formula C7H12BrNO2 and molecular weight 221.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-methyl-3,6-dihydro-2H-pyridine-5-carboxylic acid;hydrobromide
Also Known As: Arecaidine hydrobromide, Arecaidine (hydrobromide), Nicotinic acid, 1,2,5,6-tetrahydro-1-methyl-, hydrobromide, 1-methyl-3,6-dihydro-2H-pyridine-5-carboxylic acid;hydrobromide, 1,2,5,6-Tetrahydro-1-methyl-3-pyridinecarboxylic acid hydrobromide
| Molecular Formula | C7H12BrNO2 |
|---|---|
| Molecular Weight | 221.01 g/mol |
| LogP | 0.9108 |
| Topological Polar Surface Area | 40.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 221.00514 |
| Heavy Atoms | 11 |
| Complexity | 174.0 |
Chemical Identifiers
| CAS Number | 6013-57-6 |
|---|---|
| SMILES | CN1CCC=C(C1)C(=O)O.Br |
| InChIKey | BZFFCPUUBJMUSS-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Arecaidine hydrobromide (CAS 6013-57-6), with molecular formula C7H12BrNO2 and molecular weight 221.01 g/mol. IUPAC: 1-methyl-3,6-dihydro-2H-pyridine-5-carboxylic acid;hydrobromide.
Chemical Property Profile of Arecaidine hydrobromide
Property Insights of Arecaidine hydrobromide
The XLogP value of 0.9108 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Arecaidine hydrobromide. With a topological polar surface area (TPSA) of 40.5 Ų, Arecaidine hydrobromide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Arecaidine hydrobromide has 2 hydrogen bond donor(s) and 3 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 Arecaidine hydrobromide?
The CAS number of Arecaidine hydrobromide is 6013-57-6.
What is the molecular formula of Arecaidine hydrobromide?
The molecular formula of Arecaidine hydrobromide is C7H12BrNO2.
What is the molecular weight of Arecaidine hydrobromide?
The molecular weight of Arecaidine hydrobromide is 221.01 g/mol.
Where can I buy Arecaidine hydrobromide?
You can request a quote for Arecaidine hydrobromide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Arecaidine hydrobromide?
Yes, KEHONG BIO provides custom synthesis services for Arecaidine hydrobromide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.