Leurosidine N'b-oxide
TL;DR: Leurosidine N'b-oxide (CAS 80374-74-9) is a chemical compound with molecular formula C46H58N4O10 and molecular weight 826.42 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 11-acetyloxy-12-ethyl-4-(17-ethyl-17-hydroxy-13-methoxycarbonyl-1-oxido-11-aza-1-azoniatetracyclo[13.3.1.04,12.05,10]nonadeca-4(12),5,7,9-tetraen-13-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: Leurosidine N'b-oxide, Vinblastine N-Oxide, Vincaleukoblastine, 6'-oxide, (4'alpha)-, Methyl 11-acetyloxy-12-ethyl-4-(17-ethyl-17-hydroxy-13-methoxycarbonyl-1-oxido-11-aza-1-azoniatetracyclo[13.3.1.04,12.05,10]nonadeca-4(12),5,7,9-tetraen-13-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, Methyl 11-acetyloxy-12-ethyl-4-(17-ethyl-17-hydroxy-13-methoxycarbonyl-1-oxido-11-aza-1-azoniatetracyclo[13.3.1.04,12.05,10]nonadeca-4(12),5,7,9-tetraen-13-yl)-10-hydroxy-5-methoxy-8-methyl-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2,4,6,13-te
| Molecular Formula | C46H58N4O10 |
|---|---|
| Molecular Weight | 826.42 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 169.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 10 |
| Exact Mass | 826.4153 |
| Heavy Atoms | 60 |
| Complexity | 1750.0 |
Chemical Identifiers
| CAS Number | 80374-74-9 |
|---|---|
| SMILES | CCC1(CC2CC(C3=C(CC[N+](C2)(C1)[O-])C4=CC=CC=C4N3)(C5=C(C=C6C(=C5)C78CCN9C7C(C=CC9)(C(C(C8N6C)(C(=O)OC)O)OC(=O)C)CC)OC)C(=O)OC)O |
| InChIKey | JJNRGDILJOBAEK-UHFFFAOYSA-N |
Product Overview
Leurosidine N'b-oxide (CAS 80374-74-9), with molecular formula C46H58N4O10 and molecular weight 826.42 g/mol. IUPAC: methyl 11-acetyloxy-12-ethyl-4-(17-ethyl-17-hydroxy-13-methoxycarbonyl-1-oxido-11-aza-1-azoniatetracyclo[13.3.1.04,12.05,10]nonadeca-4(12),5,7,9-tetraen-13-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 Leurosidine N'b-oxide
Property Insights of Leurosidine N'b-oxide
The XLogP value of 3.1 indicates that Leurosidine N'b-oxide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 169.0 Ų indicates high polarity, suggesting Leurosidine N'b-oxide may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Leurosidine N'b-oxide has 3 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 Leurosidine N'b-oxide?
The CAS number of Leurosidine N'b-oxide is 80374-74-9.
What is the molecular formula of Leurosidine N'b-oxide?
The molecular formula of Leurosidine N'b-oxide is C46H58N4O10.
What is the molecular weight of Leurosidine N'b-oxide?
The molecular weight of Leurosidine N'b-oxide is 826.42 g/mol.
Where can I buy Leurosidine N'b-oxide?
You can request a quote for Leurosidine 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 Leurosidine N'b-oxide?
Yes, KEHONG BIO provides custom synthesis services for Leurosidine N'b-oxide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.