trans-Canadine-N-oxide
TL;DR: trans-Canadine-N-oxide (CAS 86639-35-2) is a chemical compound with molecular formula C20H21NO5 and molecular weight 355.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
16,17-dimethoxy-13-oxido-5,7-dioxa-13-azoniapentacyclo[11.8.0.02,10.04,8.015,20]henicosa-2,4(8),9,15(20),16,18-hexaene
Also Known As: trans-Canadine-N-oxide, 4H-Berberine N-oxide, Tetrahydroberberine N-oxide, 16,17-dimethoxy-5,7-dioxa-13-azapentacyclo[11.8.0.02,10.04,8.015,20]henicosa-2,4(8),9,15,17,19-hexaen-13-ium-13-olate, 5,8,13,13a-Tetrahydro-9,10-dimethoxy-6H-benzo[g]-1,3-benzodioxolo[5,6-a]quinolizine 7-oxide
| Molecular Formula | C20H21NO5 |
|---|---|
| Molecular Weight | 355.14 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 55.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 355.14197 |
| Heavy Atoms | 26 |
| Complexity | 532.0 |
Chemical Identifiers
| CAS Number | 86639-35-2 |
|---|---|
| SMILES | COC1=C(C2=C(CC3C4=CC5=C(C=C4CC[N+]3(C2)[O-])OCO5)C=C1)OC |
| InChIKey | FCFHJJYTYOPPEM-UHFFFAOYSA-N |
Product Overview
trans-Canadine-N-oxide (CAS 86639-35-2), with molecular formula C20H21NO5 and molecular weight 355.14 g/mol. IUPAC: 16,17-dimethoxy-13-oxido-5,7-dioxa-13-azoniapentacyclo[11.8.0.02,10.04,8.015,20]henicosa-2,4(8),9,15(20),16,18-hexaene.
Chemical Property Profile of trans-Canadine-N-oxide
Property Insights of trans-Canadine-N-oxide
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for trans-Canadine-N-oxide. With a topological polar surface area (TPSA) of 55.0 Ų, trans-Canadine-N-oxide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, trans-Canadine-N-oxide has 0 hydrogen bond donor(s) and 5 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 trans-Canadine-N-oxide?
The CAS number of trans-Canadine-N-oxide is 86639-35-2.
What is the molecular formula of trans-Canadine-N-oxide?
The molecular formula of trans-Canadine-N-oxide is C20H21NO5.
What is the molecular weight of trans-Canadine-N-oxide?
The molecular weight of trans-Canadine-N-oxide is 355.14 g/mol.
Where can I buy trans-Canadine-N-oxide?
You can request a quote for trans-Canadine-N-oxide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for trans-Canadine-N-oxide?
Yes, KEHONG BIO provides custom synthesis services for trans-Canadine-N-oxide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.