Dechloroacutumine
TL;DR: Dechloroacutumine (CAS 219794-33-9) is a chemical compound with molecular formula C19H25NO6 and molecular weight 363.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1S,4'S,6S,10S)-4'-hydroxy-3',4,5-trimethoxy-7-methylspiro[7-azatricyclo[4.3.3.01,6]dodec-4-ene-10,5'-cyclopent-2-ene]-1',3-dione
Also Known As: dechloroacutumine, 1-Epidechloroacutumine, (-)-Dechloroacutumine, J1.022.086F, (1S,4'S,6S,10S)-4'-hydroxy-3',4,5-trimethoxy-7-methylspiro[7-azatricyclo[4.3.3.01,6]dodec-4-ene-10,5'-cyclopent-2-ene]-1',3-dione
| Molecular Formula | C19H25NO6 |
|---|---|
| Molecular Weight | 363.17 g/mol |
| LogP | 0.7784 |
| Topological Polar Surface Area | 85.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 363.16818 |
| Heavy Atoms | 26 |
| Complexity | 757.1283 |
Chemical Identifiers
| CAS Number | 219794-33-9 |
|---|---|
| SMILES | CN1CC[C@@]23[C@@]1(CC[C@@]24[C@@H](C(=CC4=O)OC)O)C(=C(C(=O)C3)OC)OC |
Product Overview
Dechloroacutumine (CAS 219794-33-9), with molecular formula C19H25NO6 and molecular weight 363.17 g/mol. IUPAC: (1S,4'S,6S,10S)-4'-hydroxy-3',4,5-trimethoxy-7-methylspiro[7-azatricyclo[4.3.3.01,6]dodec-4-ene-10,5'-cyclopent-2-ene]-1',3-dione.
Chemical Property Profile of Dechloroacutumine
Property Insights of Dechloroacutumine
The XLogP value of 0.7784 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Dechloroacutumine. The TPSA of 85.3 Ų falls within the moderate polarity range, balancing permeability and solubility for Dechloroacutumine. Following Lipinski's Rule of Five, Dechloroacutumine has 1 hydrogen bond donor(s) and 7 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 Dechloroacutumine?
The CAS number of Dechloroacutumine is 219794-33-9.
What is the molecular formula of Dechloroacutumine?
The molecular formula of Dechloroacutumine is C19H25NO6.
What is the molecular weight of Dechloroacutumine?
The molecular weight of Dechloroacutumine is 363.17 g/mol.
Where can I buy Dechloroacutumine?
You can request a quote for Dechloroacutumine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Dechloroacutumine?
Yes, KEHONG BIO provides custom synthesis services for Dechloroacutumine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.