Ushinsunine
TL;DR: Ushinsunine (CAS 3175-89-1) is a chemical compound with molecular formula C18H17NO3 and molecular weight 295.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(12S,13R)-11-methyl-3,5-dioxa-11-azapentacyclo[10.7.1.02,6.08,20.014,19]icosa-1(20),2(6),7,14,16,18-hexaen-13-ol
Also Known As: Ushinsunine, Ushinsunin, Micheline A, (-)-ushinsunine, OLIVEROLINE
| Molecular Formula | C18H17NO3 |
|---|---|
| Molecular Weight | 295.12 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 41.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 295.12085 |
| Heavy Atoms | 22 |
| Complexity | 444.0 |
Chemical Identifiers
| CAS Number | 3175-89-1 |
|---|---|
| SMILES | CN1CCC2=CC3=C(C4=C2[C@H]1[C@@H](C5=CC=CC=C54)O)OCO3 |
| InChIKey | NVMGTUCOAQKLLO-DLBZAZTESA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Ushinsunine (CAS 3175-89-1), with molecular formula C18H17NO3 and molecular weight 295.12 g/mol. IUPAC: (12S,13R)-11-methyl-3,5-dioxa-11-azapentacyclo[10.7.1.02,6.08,20.014,19]icosa-1(20),2(6),7,14,16,18-hexaen-13-ol.
Chemical Property Profile of Ushinsunine
Property Insights of Ushinsunine
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ushinsunine. With a topological polar surface area (TPSA) of 41.9 Ų, Ushinsunine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ushinsunine has 1 hydrogen bond donor(s) and 4 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 3175-89-1.
What is the molecular formula of Ushinsunine?
The molecular formula of Ushinsunine is C18H17NO3.
What is the molecular weight of Ushinsunine?
The molecular weight of Ushinsunine is 295.12 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.