Aknadinine
TL;DR: Aknadinine (CAS 27845-19-8) is a chemical compound with molecular formula C20H25NO5 and molecular weight 359.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1S,10S)-3-hydroxy-4,11,12-trimethoxy-17-methyl-17-azatetracyclo[8.4.3.01,10.02,7]heptadeca-2(7),3,5,11-tetraen-13-one
Also Known As: Aknadinine, Hernandoline, Hasubanonine, O4-demethyl-, 4-DEMETHYLHASUBANONINE, 4-hydroxy-3,7,8-trimethoxy-17-methyl-7,8-didehydrohasubanan-6-one
| Molecular Formula | C20H25NO5 |
|---|---|
| Molecular Weight | 359.17 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 68.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 359.17328 |
| Heavy Atoms | 26 |
| Complexity | 634.0 |
Chemical Identifiers
| CAS Number | 27845-19-8 |
|---|---|
| SMILES | CN1CC[C@@]23[C@@]1(CCC4=C2C(=C(C=C4)OC)O)C(=C(C(=O)C3)OC)OC |
| InChIKey | XLWYWPDYNLZUJS-VQTJNVASSA-N |
Product Overview
Aknadinine (CAS 27845-19-8), with molecular formula C20H25NO5 and molecular weight 359.17 g/mol. IUPAC: (1S,10S)-3-hydroxy-4,11,12-trimethoxy-17-methyl-17-azatetracyclo[8.4.3.01,10.02,7]heptadeca-2(7),3,5,11-tetraen-13-one.
Chemical Property Profile of Aknadinine
Property Insights of Aknadinine
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Aknadinine. The TPSA of 68.2 Ų falls within the moderate polarity range, balancing permeability and solubility for Aknadinine. Following Lipinski's Rule of Five, Aknadinine 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 Aknadinine?
The CAS number of Aknadinine is 27845-19-8.
What is the molecular formula of Aknadinine?
The molecular formula of Aknadinine is C20H25NO5.
What is the molecular weight of Aknadinine?
The molecular weight of Aknadinine is 359.17 g/mol.
Where can I buy Aknadinine?
You can request a quote for Aknadinine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Aknadinine?
Yes, KEHONG BIO provides custom synthesis services for Aknadinine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.