翠雀花碱
TL;DR: 翠雀花碱 (CAS 545-61-9) is a chemical compound with molecular formula C22H33NO3 and molecular weight 359.25 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
翠雀花碱
(1S,5R,10R,11S,12R,14S,16R,17R)-7-(2-hydroxyethyl)-5-methyl-13-methylidene-9-oxa-7-azahexacyclo[8.6.2.211,14.01,8.05,17.011,16]icosan-12-ol
Also Known As: AJACONINE, 7alpha,20-epoxy-21-(2-hydroxyethyl)-4-methylatid-16-en-15beta-ol, (1S,5R,10R,11S,12R,14S,16R,17R)-7-(2-hydroxyethyl)-5-methyl-13-methylidene-9-oxa-7-azahexacyclo[8.6.2.211,14.01,8.05,17.011,16]icosan-12-ol
| Molecular Formula | C22H33NO3 |
|---|---|
| Molecular Weight | 359.25 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 52.9 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 359.24603 |
| Heavy Atoms | 26 |
| Complexity | 666.0 |
Chemical Identifiers
| CAS Number | 545-61-9 |
|---|---|
| SMILES | C[C@@]12CCC[C@]34[C@@H]1C[C@H]([C@]56[C@H]3C[C@H](CC5)C(=C)[C@H]6O)OC4N(C2)CCO |
| InChIKey | RLXRCZIALRMBJR-VRMMQTGXSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
翠雀花碱 (CAS 545-61-9), with molecular formula C22H33NO3 and molecular weight 359.25 g/mol. IUPAC: (1S,5R,10R,11S,12R,14S,16R,17R)-7-(2-hydroxyethyl)-5-methyl-13-methylidene-9-oxa-7-azahexacyclo[8.6.2.211,14.01,8.05,17.011,16]icosan-12-ol.
Chemical Property Profile of 翠雀花碱
Property Insights of 翠雀花碱
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 翠雀花碱. With a topological polar surface area (TPSA) of 52.9 Ų, 翠雀花碱 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 翠雀花碱 has 2 hydrogen bond donor(s) and 4 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 翠雀花碱?
The CAS number of 翠雀花碱 is 545-61-9.
What is the molecular formula of 翠雀花碱?
The molecular formula of 翠雀花碱 is C22H33NO3.
What is the molecular weight of 翠雀花碱?
The molecular weight of 翠雀花碱 is 359.25 g/mol.
Where can I buy 翠雀花碱?
You can request a quote for 翠雀花碱 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 翠雀花碱?
Yes, KEHONG BIO provides custom synthesis services for 翠雀花碱 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.