Crebanine N-oxide
TL;DR: Crebanine N-oxide (CAS 102719-85-7) 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.
(11R)-15,16-dimethoxy-11-methyl-11-oxido-3,5-dioxa-11-azoniapentacyclo[10.7.1.02,6.08,20.014,19]icosa-1(20),2(6),7,14(19),15,17-hexaene
Also Known As: Crebanine N-oxide, (11R)-15,16-dimethoxy-11-methyl-11-oxido-3,5-dioxa-11-azoniapentacyclo[10.7.1.02,6.08,20.014,19]icosa-1(20),2(6),7,14(19),15,17-hexaene, 5H-Benzo(g)-1,3-benzodioxolo(6,5,4-de)quinoline, 6,7,7a,8-tetrahydro-9,10-dimethoxy-7-methyl-, 7-oxide, (R)-, 9,10-Dimethoxy-7-methyl-7-oxo-6,7,7a,8-tetrahydro-2H,5H-7lambda~5~-[1,3]benzodioxolo[6,5,4-de]benzo[g]quinoline
| Molecular Formula | C20H21NO5 |
|---|---|
| Molecular Weight | 355.14 g/mol |
| LogP | 2.7 |
| 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 | 546.0 |
Chemical Identifiers
| CAS Number | 102719-85-7 |
|---|---|
| SMILES | C[N@+]1(CCC2=CC3=C(C4=C2C1CC5=C4C=CC(=C5OC)OC)OCO3)[O-] |
| InChIKey | FCZORVXRVVKVLF-OKKPIIHCSA-N |
Product Overview
Crebanine N-oxide (CAS 102719-85-7), with molecular formula C20H21NO5 and molecular weight 355.14 g/mol. IUPAC: (11R)-15,16-dimethoxy-11-methyl-11-oxido-3,5-dioxa-11-azoniapentacyclo[10.7.1.02,6.08,20.014,19]icosa-1(20),2(6),7,14(19),15,17-hexaene.
Chemical Property Profile of Crebanine N-oxide
Property Insights of Crebanine N-oxide
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Crebanine N-oxide. With a topological polar surface area (TPSA) of 55.0 Ų, Crebanine N-oxide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Crebanine 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 Crebanine N-oxide?
The CAS number of Crebanine N-oxide is 102719-85-7.
What is the molecular formula of Crebanine N-oxide?
The molecular formula of Crebanine N-oxide is C20H21NO5.
What is the molecular weight of Crebanine N-oxide?
The molecular weight of Crebanine N-oxide is 355.14 g/mol.
Where can I buy Crebanine N-oxide?
You can request a quote for Crebanine N-oxide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Crebanine N-oxide?
Yes, KEHONG BIO provides custom synthesis services for Crebanine N-oxide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.