Panurensine (alkaloid)
TL;DR: Panurensine (alkaloid) (CAS 55701-99-0) 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.
(1R,14R)-9,21,26-trimethoxy-15,31-dimethyl-7,24-dioxa-15,31-diazaheptacyclo[23.6.2.23,6.18,12.014,19.018,23.028,32]hexatriaconta-3(36),4,6(35),8,10,12(34),18(23),19,21,25,27,32-dodecaen-22-ol
Also Known As: Panurensine, Panurensine (alkaloid), AE-508/21135060, (1R,14R)-9,21,26-trimethoxy-15,31-dimethyl-7,24-dioxa-15,31-diazaheptacyclo[23.6.2.23,6.18,12.014,19.018,23.028,32]hexatriaconta-3(36),4,6(35),8,10,12(34),18(23),19,21,25,27,32-dodecaen-22-ol, (13R,25aR)-2,3,11,12,13,14,25,25a-Octahydro-18,31,33-trimethoxy-1,12-dimethyl-10H-8,9,13-[1,3]butadien[1]yl[4]ylidene-4,6:21,24-dietheno-15,19-metheno-1H-pyrido[2,3-t][1,14,6]dioxaazacyclotricosin-32-ol
| Molecular Formula | C37H40N2O6 |
|---|---|
| Molecular Weight | 608.29 g/mol |
| LogP | 6.8594 |
| Topological Polar Surface Area | 72.86 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 3 |
| Exact Mass | 608.28864 |
| Heavy Atoms | 45 |
| Complexity | 1736.6147 |
Chemical Identifiers
| CAS Number | 55701-99-0 |
|---|---|
| SMILES | CN1CCC2=CC(=C3C=C2[C@H]1CC4=CC=C(C=C4)OC5=C(C=CC(=C5)C[C@@H]6C7=CC(=C(C(=C7CCN6C)O3)O)OC)OC)OC |
Product Overview
Panurensine (alkaloid) (CAS 55701-99-0), with molecular formula C37H40N2O6 and molecular weight 608.29 g/mol. IUPAC: (1R,14R)-9,21,26-trimethoxy-15,31-dimethyl-7,24-dioxa-15,31-diazaheptacyclo[23.6.2.23,6.18,12.014,19.018,23.028,32]hexatriaconta-3(36),4,6(35),8,10,12(34),18(23),19,21,25,27,32-dodecaen-22-ol.
Chemical Property Profile of Panurensine (alkaloid)
Property Insights of Panurensine (alkaloid)
The XLogP value of 6.8594 indicates that Panurensine (alkaloid) is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 72.86 Ų falls within the moderate polarity range, balancing permeability and solubility for Panurensine (alkaloid). Following Lipinski's Rule of Five, Panurensine (alkaloid) 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 Panurensine (alkaloid)?
The CAS number of Panurensine (alkaloid) is 55701-99-0.
What is the molecular formula of Panurensine (alkaloid)?
The molecular formula of Panurensine (alkaloid) is C37H40N2O6.
What is the molecular weight of Panurensine (alkaloid)?
The molecular weight of Panurensine (alkaloid) is 608.29 g/mol.
Where can I buy Panurensine (alkaloid)?
You can request a quote for Panurensine (alkaloid) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Panurensine (alkaloid)?
Yes, KEHONG BIO provides custom synthesis services for Panurensine (alkaloid) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.