Cycleabarbatine
TL;DR: Cycleabarbatine (CAS 1858-42-0) 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.
(1S,14R)-9,21,25-trimethoxy-15,30-dimethyl-7,23-dioxa-15,30-diazaheptacyclo[22.6.2.23,6.18,12.114,18.027,31.022,33]hexatriaconta-3(36),4,6(35),8,10,12(34),18,20,22(33),24,26,31-dodecaen-20-ol
Also Known As: Cycleabarbatine, O6-Demethylisotetrandrine, Berbaman-6-ol, 6',7,12-trimethoxy-2,2'-dimethyl-, J2.407.545A, 6',7,12-trimethoxy-2,2'-dimethylberbaman-6-ol
| Molecular Formula | C37H40N2O6 |
|---|---|
| Molecular Weight | 608.29 g/mol |
| LogP | 6.1 |
| 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 | 1858-42-0 |
|---|---|
| SMILES | CN1CCC2=CC(=C3C=C2[C@@H]1CC4=CC=C(C=C4)OC5=C(C=CC(=C5)C[C@@H]6C7=C(O3)C(=C(C=C7CCN6C)O)OC)OC)OC |
| InChIKey | JIGFMOPXEDLMPQ-URLMMPGGSA-N |
Product Overview
Cycleabarbatine (CAS 1858-42-0), with molecular formula C37H40N2O6 and molecular weight 608.29 g/mol. IUPAC: (1S,14R)-9,21,25-trimethoxy-15,30-dimethyl-7,23-dioxa-15,30-diazaheptacyclo[22.6.2.23,6.18,12.114,18.027,31.022,33]hexatriaconta-3(36),4,6(35),8,10,12(34),18,20,22(33),24,26,31-dodecaen-20-ol.
Chemical Property Profile of Cycleabarbatine
Property Insights of Cycleabarbatine
The XLogP value of 6.1 indicates that Cycleabarbatine 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 Cycleabarbatine. Following Lipinski's Rule of Five, Cycleabarbatine 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 Cycleabarbatine?
The CAS number of Cycleabarbatine is 1858-42-0.
What is the molecular formula of Cycleabarbatine?
The molecular formula of Cycleabarbatine is C37H40N2O6.
What is the molecular weight of Cycleabarbatine?
The molecular weight of Cycleabarbatine is 608.29 g/mol.
Where can I buy Cycleabarbatine?
You can request a quote for Cycleabarbatine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Cycleabarbatine?
Yes, KEHONG BIO provides custom synthesis services for Cycleabarbatine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.