Arecaidine propargyl ester tosylate
TL;DR: Arecaidine propargyl ester tosylate (CAS 147202-94-6) is a chemical compound with molecular formula C17H21NO5S and molecular weight 351.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-methylbenzenesulfonic acid;prop-2-ynyl 1-methyl-3,6-dihydro-2H-pyridine-5-carboxylate
Also Known As: ARECAIDINE PROPARGYL ESTER TOSYLATE, Arecaidine-propargyl ester (tosylate), Arecaidine-propargyl ester tosylate, ARECAIDINEPROPARGYLESTERTOSYLATE, 4-methylbenzenesulfonic acid;prop-2-ynyl 1-methyl-3,6-dihydro-2H-pyridine-5-carboxylate
| Molecular Formula | C17H21NO5S |
|---|---|
| Molecular Weight | 351.11 g/mol |
| LogP | 1.66642 |
| Topological Polar Surface Area | 83.91 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 351.11404 |
| Heavy Atoms | 24 |
| Complexity | 729.23956 |
Chemical Identifiers
| CAS Number | 147202-94-6 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)O.CN1CCC=C(C1)C(=O)OCC#C |
Product Overview
Arecaidine propargyl ester tosylate (CAS 147202-94-6), with molecular formula C17H21NO5S and molecular weight 351.11 g/mol. IUPAC: 4-methylbenzenesulfonic acid;prop-2-ynyl 1-methyl-3,6-dihydro-2H-pyridine-5-carboxylate.
Chemical Property Profile of Arecaidine propargyl ester tosylate
Property Insights of Arecaidine propargyl ester tosylate
The XLogP value of 1.66642 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Arecaidine propargyl ester tosylate. The TPSA of 83.91 Ų falls within the moderate polarity range, balancing permeability and solubility for Arecaidine propargyl ester tosylate. Following Lipinski's Rule of Five, Arecaidine propargyl ester tosylate 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 Arecaidine propargyl ester tosylate?
The CAS number of Arecaidine propargyl ester tosylate is 147202-94-6.
What is the molecular formula of Arecaidine propargyl ester tosylate?
The molecular formula of Arecaidine propargyl ester tosylate is C17H21NO5S.
What is the molecular weight of Arecaidine propargyl ester tosylate?
The molecular weight of Arecaidine propargyl ester tosylate is 351.11 g/mol.
Where can I buy Arecaidine propargyl ester tosylate?
You can request a quote for Arecaidine propargyl ester tosylate 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 tosylate?
Yes, KEHONG BIO provides custom synthesis services for Arecaidine propargyl ester tosylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.