Leurosine-N'(b)-oxide
TL;DR: Leurosine-N'(b)-oxide (CAS 39608-80-5) 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-4-(13-acetyloxy-18-ethyl-1-oxido-17-oxa-11-aza-1-azoniapentacyclo[13.4.1.04,12.05,10.016,18]icosa-4(12),5,7,9-tetraen-13-yl)-12-ethyl-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: Leurosine-N'(b)-oxide, Methyl 4-(acetyloxy)-15-[11-(acetyloxy)-1a-ethyl-3-oxo-1a,2,3,4,5,10,11,12,13,13a-decahydro-3,13-methano-3lambda~5~-oxireno[9,10]azacycloundecino[5,4-b]indol-11-yl]-3-hydroxy-16-methoxy-1-methyl-6,7-didehydroaspidospermidine-3-carboxylate
| Molecular Formula | C46H56N4O10 |
|---|---|
| Molecular Weight | 824.40 g/mol |
| LogP | 4.3675 |
| Topological Polar Surface Area | 166.22 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 7 |
| Exact Mass | 824.39966 |
| Heavy Atoms | 60 |
| Complexity | 2364.7776 |
Chemical Identifiers
| CAS Number | 39608-80-5 |
|---|---|
| SMILES | CCC12C[N+]3(CCC4=C(C(CC(C3)C1O2)(C5=C(C=C6C(=C5)C78CCN9C7C(C=CC9)(C(C(C8N6C)(C(=O)OC)O)OC(=O)C)CC)OC)OC(=O)C)NC1=CC=CC=C41)[O-] |
Product Overview
Leurosine-N'(b)-oxide (CAS 39608-80-5), with molecular formula C46H56N4O10 and molecular weight 824.40 g/mol. IUPAC: methyl 11-acetyloxy-4-(13-acetyloxy-18-ethyl-1-oxido-17-oxa-11-aza-1-azoniapentacyclo[13.4.1.04,12.05,10.016,18]icosa-4(12),5,7,9-tetraen-13-yl)-12-ethyl-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 Leurosine-N'(b)-oxide
Property Insights of Leurosine-N'(b)-oxide
The XLogP value of 4.3675 indicates that Leurosine-N'(b)-oxide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 166.22 Ų indicates high polarity, suggesting Leurosine-N'(b)-oxide may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Leurosine-N'(b)-oxide 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 Leurosine-N'(b)-oxide?
The CAS number of Leurosine-N'(b)-oxide is 39608-80-5.
What is the molecular formula of Leurosine-N'(b)-oxide?
The molecular formula of Leurosine-N'(b)-oxide is C46H56N4O10.
What is the molecular weight of Leurosine-N'(b)-oxide?
The molecular weight of Leurosine-N'(b)-oxide is 824.40 g/mol.
Where can I buy Leurosine-N'(b)-oxide?
You can request a quote for Leurosine-N'(b)-oxide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Leurosine-N'(b)-oxide?
Yes, KEHONG BIO provides custom synthesis services for Leurosine-N'(b)-oxide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.