Purpureine
TL;DR: Purpureine (CAS 19775-47-4) is a chemical compound with molecular formula C22H27NO5 and molecular weight 385.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,2,3,9,10-pentamethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline
Also Known As: Thalicsimidin, Thalicsimidine, Tetrahexylammonium, Ammonium, tetrahexyl-, Tetrahexylammonium chloride
| Molecular Formula | C22H27NO5 |
|---|---|
| Molecular Weight | 385.19 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 49.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 385.18893 |
| Heavy Atoms | 28 |
| Complexity | 533.0 |
Chemical Identifiers
| CAS Number | 19775-47-4 |
|---|---|
| SMILES | CN1CCC2=C3C1CC4=CC(=C(C=C4C3=C(C(=C2OC)OC)OC)OC)OC |
| InChIKey | KMLPLPOAFAPFFE-UHFFFAOYSA-N |
Product Overview
Purpureine (CAS 19775-47-4), with molecular formula C22H27NO5 and molecular weight 385.19 g/mol. IUPAC: 1,2,3,9,10-pentamethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline.
Chemical Property Profile of Purpureine
Property Insights of Purpureine
The XLogP value of 3.3 indicates that Purpureine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 49.4 Ų, Purpureine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Purpureine has 0 hydrogen bond donor(s) and 6 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 Purpureine?
The CAS number of Purpureine is 19775-47-4.
What is the molecular formula of Purpureine?
The molecular formula of Purpureine is C22H27NO5.
What is the molecular weight of Purpureine?
The molecular weight of Purpureine is 385.19 g/mol.
Where can I buy Purpureine?
You can request a quote for Purpureine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Purpureine?
Yes, KEHONG BIO provides custom synthesis services for Purpureine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.