Oxycanthine
TL;DR: Oxycanthine (CAS 5531-33-9) is a chemical compound with molecular formula C37H40N2O6 and molecular weight 608.29 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
20,21,25-trimethoxy-15,30-dimethyl-8,23-dioxa-15,30-diazaheptacyclo[22.6.2.29,12.13,7.114,18.027,31.022,33]hexatriaconta-3(36),4,6,9(35),10,12(34),18,20,22(33),24,26,31-dodecaen-6-ol
Also Known As: Oxyacanthine, Oxycanthine, N-Methylsepeerine, N-Methylocoteamine, Vinetine
| Molecular Formula | C37H40N2O6 |
|---|---|
| Molecular Weight | 608.29 g/mol |
| LogP | 6.3 |
| Topological Polar Surface Area | 72.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 3 |
| Exact Mass | 608.28864 |
| Heavy Atoms | 45 |
| Complexity | 963.0 |
Chemical Identifiers
| CAS Number | 5531-33-9 |
|---|---|
| SMILES | CN1CCC2=CC(=C(C3=C2C1CC4=CC=C(C=C4)OC5=C(C=CC(=C5)CC6C7=CC(=C(C=C7CCN6C)OC)O3)O)OC)OC |
| InChIKey | HGNHIFJNOKGSKI-UHFFFAOYSA-N |
Product Overview
Oxycanthine (CAS 5531-33-9), with molecular formula C37H40N2O6 and molecular weight 608.29 g/mol. IUPAC: 20,21,25-trimethoxy-15,30-dimethyl-8,23-dioxa-15,30-diazaheptacyclo[22.6.2.29,12.13,7.114,18.027,31.022,33]hexatriaconta-3(36),4,6,9(35),10,12(34),18,20,22(33),24,26,31-dodecaen-6-ol.
Chemical Property Profile of Oxycanthine
Property Insights of Oxycanthine
The XLogP value of 6.3 indicates that Oxycanthine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 72.9 Ų falls within the moderate polarity range, balancing permeability and solubility for Oxycanthine. Following Lipinski's Rule of Five, Oxycanthine has 1 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Oxycanthine?
The CAS number of Oxycanthine is 5531-33-9.
What is the molecular formula of Oxycanthine?
The molecular formula of Oxycanthine is C37H40N2O6.
What is the molecular weight of Oxycanthine?
The molecular weight of Oxycanthine is 608.29 g/mol.
Where can I buy Oxycanthine?
You can request a quote for Oxycanthine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Oxycanthine?
Yes, KEHONG BIO provides custom synthesis services for Oxycanthine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.