莲碱
TL;DR: 莲碱 (CAS 548-08-3) is a chemical compound with molecular formula C18H17NO2 and molecular weight 279.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
莲碱
(12R)-11-methyl-3,5-dioxa-11-azapentacyclo[10.7.1.02,6.08,20.014,19]icosa-1(20),2(6),7,14,16,18-hexaene
Also Known As: Roemerine, Remerin, Remerine, (-)-roemerine, Roemerin
| Molecular Formula | C18H17NO2 |
|---|---|
| Molecular Weight | 279.13 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 21.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 279.12592 |
| Heavy Atoms | 21 |
| Complexity | 414.0 |
Chemical Identifiers
| CAS Number | 548-08-3 |
|---|---|
| SMILES | CN1CCC2=CC3=C(C4=C2[C@H]1CC5=CC=CC=C54)OCO3 |
| InChIKey | JCTYWRARKVGOBK-CQSZACIVSA-N |
Product Overview
莲碱 (CAS 548-08-3), with molecular formula C18H17NO2 and molecular weight 279.13 g/mol. IUPAC: (12R)-11-methyl-3,5-dioxa-11-azapentacyclo[10.7.1.02,6.08,20.014,19]icosa-1(20),2(6),7,14,16,18-hexaene.
Chemical Property Profile of 莲碱
Property Insights of 莲碱
The XLogP value of 3.3 indicates that 莲碱 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 21.7 Ų, 莲碱 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 莲碱 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 莲碱?
The CAS number of 莲碱 is 548-08-3.
What is the molecular formula of 莲碱?
The molecular formula of 莲碱 is C18H17NO2.
What is the molecular weight of 莲碱?
The molecular weight of 莲碱 is 279.13 g/mol.
Where can I buy 莲碱?
You can request a quote for 莲碱 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 莲碱?
Yes, KEHONG BIO provides custom synthesis services for 莲碱 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.