Preocoteine
TL;DR: Preocoteine (CAS 18161-86-9) is a chemical compound with molecular formula C21H25NO5 and molecular weight 371.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(6aS)-2,3,9,10-tetramethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-1-ol
Also Known As: Preocoteine, (6aS)-2,3,9,10-tetramethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-1-ol, (6aS)-2,3,9,10-tetramethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo(de,g)quinolin-1-ol, (6aS)-5,6,6a,7-Tetrahydro-2,3,9,10-tetramethoxy-6-methyl-4H-dibenzo[de,g]quinolin-1-ol, 2,3,9,10-Tetramethoxy-6-methyl-5,6,6aalpha,7-tetrahydro-4H-dibenzo[de,g]quinoline-1-ol
| Molecular Formula | C21H25NO5 |
|---|---|
| Molecular Weight | 371.17 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 60.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 371.17328 |
| Heavy Atoms | 27 |
| Complexity | 519.0 |
Chemical Identifiers
| CAS Number | 18161-86-9 |
|---|---|
| SMILES | CN1CCC2=C3[C@@H]1CC4=CC(=C(C=C4C3=C(C(=C2OC)OC)O)OC)OC |
| InChIKey | XTOKXEQMTBIOGT-AWEZNQCLSA-N |
Product Overview
Preocoteine (CAS 18161-86-9), with molecular formula C21H25NO5 and molecular weight 371.17 g/mol. IUPAC: (6aS)-2,3,9,10-tetramethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-1-ol.
Chemical Property Profile of Preocoteine
Property Insights of Preocoteine
The XLogP value of 3.0 indicates that Preocoteine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 60.4 Ų falls within the moderate polarity range, balancing permeability and solubility for Preocoteine. Following Lipinski's Rule of Five, Preocoteine has 1 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 Preocoteine?
The CAS number of Preocoteine is 18161-86-9.
What is the molecular formula of Preocoteine?
The molecular formula of Preocoteine is C21H25NO5.
What is the molecular weight of Preocoteine?
The molecular weight of Preocoteine is 371.17 g/mol.
Where can I buy Preocoteine?
You can request a quote for Preocoteine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Preocoteine?
Yes, KEHONG BIO provides custom synthesis services for Preocoteine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.