槟榔碱丙炔酯
TL;DR: 槟榔碱丙炔酯 (CAS 35516-99-5) is a chemical compound with molecular formula C10H13NO2 and molecular weight 179.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
槟榔碱丙炔酯
prop-2-ynyl 1-methyl-3,6-dihydro-2H-pyridine-5-carboxylate
Also Known As: Arecaidine propargyl ester, Lopac-A-140, arecaidine-propargyl-ester, Arecaidine-propargyl ester, Lopac0_000136
| Molecular Formula | C10H13NO2 |
|---|---|
| Molecular Weight | 179.09 g/mol |
| LogP | 0.5 |
| Topological Polar Surface Area | 29.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 179.09464 |
| Heavy Atoms | 13 |
| Complexity | 272.0 |
Chemical Identifiers
| CAS Number | 35516-99-5 |
|---|---|
| SMILES | CN1CCC=C(C1)C(=O)OCC#C |
| InChIKey | SPHRJZBOFYIKMC-UHFFFAOYSA-N |
Product Overview
槟榔碱丙炔酯 (CAS 35516-99-5), with molecular formula C10H13NO2 and molecular weight 179.09 g/mol. IUPAC: prop-2-ynyl 1-methyl-3,6-dihydro-2H-pyridine-5-carboxylate.
Chemical Property Profile of 槟榔碱丙炔酯
Property Insights of 槟榔碱丙炔酯
The XLogP value of 0.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 槟榔碱丙炔酯. With a topological polar surface area (TPSA) of 29.5 Ų, 槟榔碱丙炔酯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 槟榔碱丙炔酯 has 0 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 槟榔碱丙炔酯?
The CAS number of 槟榔碱丙炔酯 is 35516-99-5.
What is the molecular formula of 槟榔碱丙炔酯?
The molecular formula of 槟榔碱丙炔酯 is C10H13NO2.
What is the molecular weight of 槟榔碱丙炔酯?
The molecular weight of 槟榔碱丙炔酯 is 179.09 g/mol.
Where can I buy 槟榔碱丙炔酯?
You can request a quote for 槟榔碱丙炔酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 槟榔碱丙炔酯?
Yes, KEHONG BIO provides custom synthesis services for 槟榔碱丙炔酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.