Macoline
TL;DR: Macoline (CAS 66216-59-9) is a chemical compound with molecular formula C37H41N2O6+ and molecular weight 609.30 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1S,14R)-20,25-dimethoxy-15,15,30-trimethyl-8,23-dioxa-30-aza-15-azoniaheptacyclo[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-dodecaene-6,21-diol
Also Known As: Macoline, (1S,14R)-20,25-dimethoxy-15,15,30-trimethyl-8,23-dioxa-30-aza-15-azoniaheptacyclo[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-dodecaene-6,21-diol, 7,12'-Dihydroxy-6,6'-dimethoxy-2,2,2'-trimethyl-1alpha,1'alpha-oxyacanthan-2-ium, 2H-1,24:12,15-Dietheno-6,10-metheno-16H-pyrido(2',3':17,18)(1,10)dioxacycloeicosino(2,3,4-ij)isoquinolinium, 3,4,4a,5,16a,17,18,19-octahydro-9,22-dihydroxy-21,22-dimethoxy-4,17,17-trimethyl-, (4aS,16aR)-
| Molecular Formula | C37H41N2O6+ |
|---|---|
| Molecular Weight | 609.30 g/mol |
| LogP | 6.0 |
| Topological Polar Surface Area | 80.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 2 |
| Exact Mass | 609.29645 |
| Heavy Atoms | 45 |
| Complexity | 990.0 |
Chemical Identifiers
| CAS Number | 66216-59-9 |
|---|---|
| SMILES | CN1CCC2=CC(=C3C=C2[C@@H]1CC4=CC(=C(C=C4)O)OC5=CC=C(C[C@@H]6C7=C(O3)C(=C(C=C7CC[N+]6(C)C)OC)O)C=C5)OC |
| InChIKey | MRNNKFDOEWDVRD-URLMMPGGSA-O |
Product Overview
Macoline (CAS 66216-59-9), with molecular formula C37H41N2O6+ and molecular weight 609.30 g/mol. IUPAC: (1S,14R)-20,25-dimethoxy-15,15,30-trimethyl-8,23-dioxa-30-aza-15-azoniaheptacyclo[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-dodecaene-6,21-diol.
Chemical Property Profile of Macoline
Property Insights of Macoline
The XLogP value of 6.0 indicates that Macoline is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 80.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Macoline. Following Lipinski's Rule of Five, Macoline has 2 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Macoline?
The CAS number of Macoline is 66216-59-9.
What is the molecular formula of Macoline?
The molecular formula of Macoline is C37H41N2O6+.
What is the molecular weight of Macoline?
The molecular weight of Macoline is 609.30 g/mol.
Where can I buy Macoline?
You can request a quote for Macoline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Macoline?
Yes, KEHONG BIO provides custom synthesis services for Macoline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.