Vincaleukoblastine,4'-didehydro-4'-deoxy-19'-oxo-
TL;DR: Vincaleukoblastine,4'-didehydro-4'-deoxy-19'-oxo- (CAS 61017-52-5) is a chemical compound with molecular formula C46H54N4O9 and molecular weight 806.39 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl (1R,9R,10S,11R,12R,19R)-11-acetyloxy-12-ethyl-4-[(13S,15S)-17-ethyl-13-methoxycarbonyl-19-oxo-1,11-diazatetracyclo[13.3.1.04,12.05,10]nonadeca-4(12),5,7,9,16-pentaen-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: Vincaleukoblastine,4'-didehydro-4'-deoxy-19'-oxo-, methyl (1R,9R,10S,11R,12R,19R)-11-acetyloxy-12-ethyl-4-[(13S,15S)-17-ethyl-13-methoxycarbonyl-19-oxo-1,11-diazatetracyclo[13.3.1.04,12.05,10]nonadeca-4(12),5,7,9,16-pentaen-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 4beta-(acetyloxy)-15-[(7S,9S)-5-ethyl-9-(methoxycarbonyl)-15-oxo-1,4,7,8,9,10-hexahydro-2H-3,7-methanoazacycloundecino[5,4-b]indol-9-yl]-3beta-hydroxy-16-methoxy-1-methyl-2beta,5alpha,12beta,19alpha-6,7-didehydroaspidospermidine-3alpha-carboxylate
| Molecular Formula | C46H54N4O9 |
|---|---|
| Molecular Weight | 806.39 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 151.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 10 |
| Exact Mass | 806.3891 |
| Heavy Atoms | 59 |
| Complexity | 1790.0 |
Chemical Identifiers
| CAS Number | 61017-52-5 |
|---|---|
| SMILES | CCC1=C[C@@H]2C[C@@](C3=C(CCN(C1)C2=O)C4=CC=CC=C4N3)(C5=C(C=C6C(=C5)[C@]78CCN9[C@H]7[C@@](C=CC9)([C@H]([C@@]([C@@H]8N6C)(C(=O)OC)O)OC(=O)C)CC)OC)C(=O)OC |
| InChIKey | SJFIEVKHCZIEKM-AGJHSZMPSA-N |
Product Overview
Vincaleukoblastine,4'-didehydro-4'-deoxy-19'-oxo- (CAS 61017-52-5), with molecular formula C46H54N4O9 and molecular weight 806.39 g/mol. IUPAC: methyl (1R,9R,10S,11R,12R,19R)-11-acetyloxy-12-ethyl-4-[(13S,15S)-17-ethyl-13-methoxycarbonyl-19-oxo-1,11-diazatetracyclo[13.3.1.04,12.05,10]nonadeca-4(12),5,7,9,16-pentaen-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 Vincaleukoblastine,4'-didehydro-4'-deoxy-19'-oxo-
Property Insights of Vincaleukoblastine,4'-didehydro-4'-deoxy-19'-oxo-
The XLogP value of 3.4 indicates that Vincaleukoblastine,4'-didehydro-4'-deoxy-19'-oxo- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 151.0 Ų indicates high polarity, suggesting Vincaleukoblastine,4'-didehydro-4'-deoxy-19'-oxo- may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Vincaleukoblastine,4'-didehydro-4'-deoxy-19'-oxo- has 2 hydrogen bond donor(s) and 11 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Vincaleukoblastine,4'-didehydro-4'-deoxy-19'-oxo-?
The CAS number of Vincaleukoblastine,4'-didehydro-4'-deoxy-19'-oxo- is 61017-52-5.
What is the molecular formula of Vincaleukoblastine,4'-didehydro-4'-deoxy-19'-oxo-?
The molecular formula of Vincaleukoblastine,4'-didehydro-4'-deoxy-19'-oxo- is C46H54N4O9.
What is the molecular weight of Vincaleukoblastine,4'-didehydro-4'-deoxy-19'-oxo-?
The molecular weight of Vincaleukoblastine,4'-didehydro-4'-deoxy-19'-oxo- is 806.39 g/mol.
Where can I buy Vincaleukoblastine,4'-didehydro-4'-deoxy-19'-oxo-?
You can request a quote for Vincaleukoblastine,4'-didehydro-4'-deoxy-19'-oxo- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Vincaleukoblastine,4'-didehydro-4'-deoxy-19'-oxo-?
Yes, KEHONG BIO provides custom synthesis services for Vincaleukoblastine,4'-didehydro-4'-deoxy-19'-oxo- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.