Catharinine
TL;DR: Catharinine (CAS 58511-83-4) is a chemical compound with molecular formula C46H56N4O10 and molecular weight 824.40 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 11-acetyloxy-12-ethyl-4-[3-formyl-7-methoxycarbonyl-5-(2-oxobutyl)-1,2,4,5,6,8-hexahydroazonino[5,4-b]indol-7-yl]-10-hydroxy-5-methoxy-8-methyl-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2,4,6,13-tetraene-10-carboxylate
Also Known As: Catharinine, Vinamidine, methyl 4-(acetyloxy)-15-[3-formyl-7-(methoxycarbonyl)-5-(2-oxobutyl)-1,2,3,4,5,6,7,8-octahydroazonino[5,4-b]indol-7-yl]-3-hydroxy-16-methoxy-1-methyl-6,7-didehydroaspidospermidine-3-carboxylate, Methyl 11-acetyloxy-12-ethyl-4-[3-formyl-7-methoxycarbonyl-5-(2-oxobutyl)-1,2,4,5,6,8-hexahydroazonino[5,4-b]indol-7-yl]-10-hydroxy-5-methoxy-8-methyl-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2,4,6,13-tetraene-10-carboxylate
| Molecular Formula | C46H56N4O10 |
|---|---|
| Molecular Weight | 824.40 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 168.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 12 |
| Exact Mass | 824.39966 |
| Heavy Atoms | 60 |
| Complexity | 1730.0 |
Chemical Identifiers
| CAS Number | 58511-83-4 |
|---|---|
| SMILES | CCC(=O)CC1CC(C2=C(CCN(C1)C=O)C3=CC=CC=C3N2)(C4=C(C=C5C(=C4)C67CCN8C6C(C=CC8)(C(C(C7N5C)(C(=O)OC)O)OC(=O)C)CC)OC)C(=O)OC |
| InChIKey | AQXVANXWKSPKMX-UHFFFAOYSA-N |
Product Overview
Catharinine (CAS 58511-83-4), with molecular formula C46H56N4O10 and molecular weight 824.40 g/mol. IUPAC: methyl 11-acetyloxy-12-ethyl-4-[3-formyl-7-methoxycarbonyl-5-(2-oxobutyl)-1,2,4,5,6,8-hexahydroazonino[5,4-b]indol-7-yl]-10-hydroxy-5-methoxy-8-methyl-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2,4,6,13-tetraene-10-carboxylate.
Chemical Property Profile of Catharinine
Property Insights of Catharinine
The XLogP value of 3.1 indicates that Catharinine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 168.0 Ų indicates high polarity, suggesting Catharinine may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Catharinine has 2 hydrogen bond donor(s) and 12 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Catharinine?
The CAS number of Catharinine is 58511-83-4.
What is the molecular formula of Catharinine?
The molecular formula of Catharinine is C46H56N4O10.
What is the molecular weight of Catharinine?
The molecular weight of Catharinine is 824.40 g/mol.
Where can I buy Catharinine?
You can request a quote for Catharinine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Catharinine?
Yes, KEHONG BIO provides custom synthesis services for Catharinine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.