(-)-ushinsunine
TL;DR: (-)-ushinsunine (CAS 82413-17-0) 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.
(12S,13R)-15,16-dimethoxy-11-methyl-3,5-dioxa-11-azapentacyclo[10.7.1.02,6.08,20.014,19]icosa-1(20),2(6),7,14(19),15,17-hexaen-13-ol
Also Known As: (-)-ushinsunine, 5H-Benzo(g)-1,3-benzodioxolo(6,5,4-de)quinolin-8-ol, 6,7,7a,8-tetrahydro-9,10-dimethoxy-7-methyl-, (7aS,8R)-, (12S,13R)-15,16-dimethoxy-11-methyl-3,5-dioxa-11-azapentacyclo(10.7.1.02,6.08,20.014,19)icosa-1(20),2(6),7,14(19),15,17-hexaen-13-ol, (12S,13R)-15,16-dimethoxy-11-methyl-3,5-dioxa-11-azapentacyclo[10.7.1.02,6.08,20.014,19]icosa-1(20),2(6),7,14(19),15,17-hexaen-13-ol, (7aS,8R)-9,10-Dimethoxy-7-methyl-6,7,7a,8-tetrahydro-2H,5H-[1,3]benzodioxolo[6,5,4-de]benzo[g]quinolin-8-ol
| Molecular Formula | C20H21NO5 |
|---|---|
| Molecular Weight | 355.14 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 60.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 355.14197 |
| Heavy Atoms | 26 |
| Complexity | 532.0 |
Chemical Identifiers
| CAS Number | 82413-17-0 |
|---|---|
| SMILES | CN1CCC2=CC3=C(C4=C2[C@H]1[C@@H](C5=C4C=CC(=C5OC)OC)O)OCO3 |
| InChIKey | RUNAFDLOXRYAAQ-ZWKOTPCHSA-N |
Product Overview
(-)-ushinsunine (CAS 82413-17-0), with molecular formula C20H21NO5 and molecular weight 355.14 g/mol. IUPAC: (12S,13R)-15,16-dimethoxy-11-methyl-3,5-dioxa-11-azapentacyclo[10.7.1.02,6.08,20.014,19]icosa-1(20),2(6),7,14(19),15,17-hexaen-13-ol.
Chemical Property Profile of (-)-ushinsunine
Property Insights of (-)-ushinsunine
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (-)-ushinsunine. The TPSA of 60.4 Ų falls within the moderate polarity range, balancing permeability and solubility for (-)-ushinsunine. Following Lipinski's Rule of Five, (-)-ushinsunine 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 (-)-ushinsunine?
The CAS number of (-)-ushinsunine is 82413-17-0.
What is the molecular formula of (-)-ushinsunine?
The molecular formula of (-)-ushinsunine is C20H21NO5.
What is the molecular weight of (-)-ushinsunine?
The molecular weight of (-)-ushinsunine is 355.14 g/mol.
Where can I buy (-)-ushinsunine?
You can request a quote for (-)-ushinsunine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (-)-ushinsunine?
Yes, KEHONG BIO provides custom synthesis services for (-)-ushinsunine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.