Ethyl N-(O-4-deacetyl-vinblasin-23-oyl)-L-leucinate
TL;DR: Ethyl N-(O-4-deacetyl-vinblasin-23-oyl)-L-leucinate (CAS 81571-25-7) is a chemical compound with molecular formula C51H69N5O9 and molecular weight 895.51 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 13-[10-[(1-ethoxy-4-methyl-1-oxopentan-2-yl)carbamoyl]-12-ethyl-10,11-dihydroxy-5-methoxy-8-methyl-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2,4,6,13-tetraen-4-yl]-17-ethyl-17-hydroxy-1,11-diazatetracyclo[13.3.1.04,12.05,10]nonadeca-4(12),5,7,9-tetraene-13-carboxylate
Also Known As: Ethyl N-(O-4-deacetyl-vinblasin-23-oyl)-L-leucinate, Vincaleukoblastine, O(sup 4)-deacetyl-3-de(methoxycarbonyl)-3-(((1-(ethoxycarbonyl)-3-methylbutyl)amino)carbonyl)-, (3(R))-, VLE, Ethyl N-(O-4-deacetyl-vinblastin-23-oyl)-L-leucinate, Methyl 13-[10-[(1-ethoxy-4-methyl-1-oxopentan-2-yl)carbamoyl]-12-ethyl-10,11-dihydroxy-5-methoxy-8-methyl-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2,4,6,13-tetraen-4-yl]-17-ethyl-17-hydroxy-1,11-diazatetracyclo[13.3.1.04,12.05,10]nonadeca-4(12),5,7,9-tetraene-13-carboxylate
| Molecular Formula | C51H69N5O9 |
|---|---|
| Molecular Weight | 895.51 g/mol |
| LogP | 4.3411 |
| Topological Polar Surface Area | 177.13 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 11 |
| Exact Mass | 895.5095 |
| Heavy Atoms | 65 |
| Complexity | 2400.8455 |
Chemical Identifiers
| CAS Number | 81571-25-7 |
|---|---|
| SMILES | CCC1(CC2CC(C3=C(CCN(C2)C1)C4=CC=CC=C4N3)(C5=C(C=C6C(=C5)C78CCN9C7C(C=CC9)(C(C(C8N6C)(C(=O)NC(CC(C)C)C(=O)OCC)O)O)CC)OC)C(=O)OC)O |
Product Overview
Ethyl N-(O-4-deacetyl-vinblasin-23-oyl)-L-leucinate (CAS 81571-25-7), with molecular formula C51H69N5O9 and molecular weight 895.51 g/mol. IUPAC: methyl 13-[10-[(1-ethoxy-4-methyl-1-oxopentan-2-yl)carbamoyl]-12-ethyl-10,11-dihydroxy-5-methoxy-8-methyl-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2,4,6,13-tetraen-4-yl]-17-ethyl-17-hydroxy-1,11-diazatetracyclo[13.3.1.04,12.05,10]nonadeca-4(12),5,7,9-tetraene-13-carboxylate.
Chemical Property Profile of Ethyl N-(O-4-deacetyl-vinblasin-23-oyl)-L-leucinate
Property Insights of Ethyl N-(O-4-deacetyl-vinblasin-23-oyl)-L-leucinate
The XLogP value of 4.3411 indicates that Ethyl N-(O-4-deacetyl-vinblasin-23-oyl)-L-leucinate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 177.13 Ų indicates high polarity, suggesting Ethyl N-(O-4-deacetyl-vinblasin-23-oyl)-L-leucinate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Ethyl N-(O-4-deacetyl-vinblasin-23-oyl)-L-leucinate has 5 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 Ethyl N-(O-4-deacetyl-vinblasin-23-oyl)-L-leucinate?
The CAS number of Ethyl N-(O-4-deacetyl-vinblasin-23-oyl)-L-leucinate is 81571-25-7.
What is the molecular formula of Ethyl N-(O-4-deacetyl-vinblasin-23-oyl)-L-leucinate?
The molecular formula of Ethyl N-(O-4-deacetyl-vinblasin-23-oyl)-L-leucinate is C51H69N5O9.
What is the molecular weight of Ethyl N-(O-4-deacetyl-vinblasin-23-oyl)-L-leucinate?
The molecular weight of Ethyl N-(O-4-deacetyl-vinblasin-23-oyl)-L-leucinate is 895.51 g/mol.
Where can I buy Ethyl N-(O-4-deacetyl-vinblasin-23-oyl)-L-leucinate?
You can request a quote for Ethyl N-(O-4-deacetyl-vinblasin-23-oyl)-L-leucinate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl N-(O-4-deacetyl-vinblasin-23-oyl)-L-leucinate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl N-(O-4-deacetyl-vinblasin-23-oyl)-L-leucinate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.