Ochotensine
TL;DR: Ochotensine (CAS 5447-16-5) is a chemical compound with molecular formula C21H21NO4 and molecular weight 351.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-methoxy-2-methyl-6'-methylidenespiro[3,4-dihydroisoquinoline-1,7'-8H-cyclopenta[g][1,3]benzodioxole]-6-ol
Also Known As: Ochotensine, (+)-Ochotensine, Methylchloride-d1, Spiro(7H-indeno(4,5-d)-1,3-dioxole-7,1'(2'H)-isoquinolin)-6'-ol, 3',4',6,8-tetrahydro-7'-methoxy-2'-methyl-6-methylene-, (S)-, 7'-methoxy-2'-methyl-6-methylidene-3',4',6,8-tetrahydro-2'h-spiro[indeno[4,5-d][1,3]dioxole-7,1'-isoquinolin]-6'-ol
| Molecular Formula | C21H21NO4 |
|---|---|
| Molecular Weight | 351.15 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 51.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 351.14706 |
| Heavy Atoms | 26 |
| Complexity | 582.0 |
Chemical Identifiers
| CAS Number | 5447-16-5 |
|---|---|
| SMILES | CN1CCC2=CC(=C(C=C2C13CC4=C(C3=C)C=CC5=C4OCO5)OC)O |
| InChIKey | MDAWGFZRYVVBAS-UHFFFAOYSA-N |
Product Overview
Ochotensine (CAS 5447-16-5), with molecular formula C21H21NO4 and molecular weight 351.15 g/mol. IUPAC: 7-methoxy-2-methyl-6'-methylidenespiro[3,4-dihydroisoquinoline-1,7'-8H-cyclopenta[g][1,3]benzodioxole]-6-ol.
Chemical Property Profile of Ochotensine
Property Insights of Ochotensine
The XLogP value of 3.2 indicates that Ochotensine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 51.2 Ų, Ochotensine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ochotensine has 1 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 Ochotensine?
The CAS number of Ochotensine is 5447-16-5.
What is the molecular formula of Ochotensine?
The molecular formula of Ochotensine is C21H21NO4.
What is the molecular weight of Ochotensine?
The molecular weight of Ochotensine is 351.15 g/mol.
Where can I buy Ochotensine?
You can request a quote for Ochotensine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ochotensine?
Yes, KEHONG BIO provides custom synthesis services for Ochotensine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.