Dauricumidine
TL;DR: Dauricumidine (CAS 345640-99-5) is a chemical compound with molecular formula C18H22ClNO6 and molecular weight 383.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1S,4'R,6S,10R,11S)-11-chloro-4'-hydroxy-3',4,5-trimethoxyspiro[7-azatricyclo[4.3.3.01,6]dodec-4-ene-10,5'-cyclopent-2-ene]-1',3-dione
Also Known As: Dauricumidine, (1S,4'R,6S,10R,11S)-11-chloro-4'-hydroxy-3',4,5-trimethoxyspiro(7-azatricyclo(4.3.3.01,6)dodec-4-ene-10,5'-cyclopent-2-ene)-1',3-dione, (1S,4'R,6S,10R,11S)-11-chloro-4'-hydroxy-3',4,5-trimethoxyspiro[7-azatricyclo[4.3.3.01,6]dodec-4-ene-10,5'-cyclopent-2-ene]-1',3-dione, RefChem:131012
| Molecular Formula | C18H22ClNO6 |
|---|---|
| Molecular Weight | 383.11 g/mol |
| LogP | 0.6535 |
| Topological Polar Surface Area | 94.09 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 383.11356 |
| Heavy Atoms | 26 |
| Complexity | 762.7803 |
Chemical Identifiers
| CAS Number | 345640-99-5 |
|---|---|
| SMILES | COC1=CC(=O)[C@@]2([C@H]1O)[C@H](C[C@@]34[C@@]2(CCN3)CC(=O)C(=C4OC)OC)Cl |
Product Overview
Dauricumidine (CAS 345640-99-5), with molecular formula C18H22ClNO6 and molecular weight 383.11 g/mol. IUPAC: (1S,4'R,6S,10R,11S)-11-chloro-4'-hydroxy-3',4,5-trimethoxyspiro[7-azatricyclo[4.3.3.01,6]dodec-4-ene-10,5'-cyclopent-2-ene]-1',3-dione.
Chemical Property Profile of Dauricumidine
Property Insights of Dauricumidine
The XLogP value of 0.6535 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Dauricumidine. The TPSA of 94.09 Ų falls within the moderate polarity range, balancing permeability and solubility for Dauricumidine. Following Lipinski's Rule of Five, Dauricumidine has 2 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 Dauricumidine?
The CAS number of Dauricumidine is 345640-99-5.
What is the molecular formula of Dauricumidine?
The molecular formula of Dauricumidine is C18H22ClNO6.
What is the molecular weight of Dauricumidine?
The molecular weight of Dauricumidine is 383.11 g/mol.
Where can I buy Dauricumidine?
You can request a quote for Dauricumidine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Dauricumidine?
Yes, KEHONG BIO provides custom synthesis services for Dauricumidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.