檳榔次鹼
TL;DR: 檳榔次鹼 (CAS 499-04-7) is a chemical compound with molecular formula C7H11NO2 and molecular weight 141.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
檳榔次鹼
1-methyl-3,6-dihydro-2H-pyridine-5-carboxylic acid
Also Known As: Arecaidine, Arecaine, Methylguvacine, N-Methylguvacine, isoguvacine
| Molecular Formula | C7H11NO2 |
|---|---|
| Molecular Weight | 141.08 g/mol |
| LogP | -2.3 |
| Topological Polar Surface Area | 40.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 141.07898 |
| Heavy Atoms | 10 |
| Complexity | 174.0 |
| Melting Point | 223 - 224 °C |
Chemical Identifiers
| CAS Number | 499-04-7 |
|---|---|
| SMILES | CN1CCC=C(C1)C(=O)O |
| InChIKey | DNJFTXKSFAMXQF-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 9 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
檳榔次鹼 (CAS 499-04-7), with molecular formula C7H11NO2 and molecular weight 141.08 g/mol. IUPAC: 1-methyl-3,6-dihydro-2H-pyridine-5-carboxylic acid.
Chemical Property Profile of 檳榔次鹼
Property Insights of 檳榔次鹼
The XLogP value of -2.3 indicates that 檳榔次鹼 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 40.5 Ų, 檳榔次鹼 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 檳榔次鹼 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 檳榔次鹼?
The CAS number of 檳榔次鹼 is 499-04-7.
What is the molecular formula of 檳榔次鹼?
The molecular formula of 檳榔次鹼 is C7H11NO2.
What is the molecular weight of 檳榔次鹼?
The molecular weight of 檳榔次鹼 is 141.08 g/mol.
Where can I buy 檳榔次鹼?
You can request a quote for 檳榔次鹼 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 檳榔次鹼?
Yes, KEHONG BIO provides custom synthesis services for 檳榔次鹼 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.