Arecaidine propargyl ester hydrobromide
TL;DR: Arecaidine propargyl ester hydrobromide (CAS 13535-92-7) is a chemical compound with molecular formula C10H14BrNO2 and molecular weight 259.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
prop-2-ynyl 1-methyl-3,6-dihydro-2H-pyridine-5-carboxylate;hydrobromide
Also Known As: Arecaidine propargyl ester hydrobromide, Tox21_500136, Arecaidine propargyl ester (hydrobromide), 3-Pyridinecarboxylic acid, 1,2,5,6-tetrahydro-1-methyl-, 2-propyn-1-yl ester, hydrobromide (1:1), ARECAIDINE PROPARGYL ESTER HYDROBROMIDE (APE)
| Molecular Formula | C10H14BrNO2 |
|---|---|
| Molecular Weight | 259.02 g/mol |
| LogP | 1.0026 |
| Topological Polar Surface Area | 29.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 259.02078 |
| Heavy Atoms | 14 |
| Complexity | 272.0 |
Chemical Identifiers
| CAS Number | 13535-92-7 |
|---|---|
| SMILES | CN1CCC=C(C1)C(=O)OCC#C.Br |
| InChIKey | LRPUAFALRBYLTA-UHFFFAOYSA-N |
Product Overview
Arecaidine propargyl ester hydrobromide (CAS 13535-92-7), with molecular formula C10H14BrNO2 and molecular weight 259.02 g/mol. IUPAC: prop-2-ynyl 1-methyl-3,6-dihydro-2H-pyridine-5-carboxylate;hydrobromide.
Chemical Property Profile of Arecaidine propargyl ester hydrobromide
Property Insights of Arecaidine propargyl ester hydrobromide
The XLogP value of 1.0026 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Arecaidine propargyl ester hydrobromide. With a topological polar surface area (TPSA) of 29.5 Ų, Arecaidine propargyl ester hydrobromide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Arecaidine propargyl ester hydrobromide has 1 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 propargyl ester hydrobromide?
The CAS number of Arecaidine propargyl ester hydrobromide is 13535-92-7.
What is the molecular formula of Arecaidine propargyl ester hydrobromide?
The molecular formula of Arecaidine propargyl ester hydrobromide is C10H14BrNO2.
What is the molecular weight of Arecaidine propargyl ester hydrobromide?
The molecular weight of Arecaidine propargyl ester hydrobromide is 259.02 g/mol.
Where can I buy Arecaidine propargyl ester hydrobromide?
You can request a quote for Arecaidine propargyl ester hydrobromide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Arecaidine propargyl ester hydrobromide?
Yes, KEHONG BIO provides custom synthesis services for Arecaidine propargyl ester hydrobromide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.