N-Desmethyl-N-allyloxymethylvinblastine
TL;DR: N-Desmethyl-N-allyloxymethylvinblastine (CAS 81879-44-9) is a chemical compound with molecular formula C49H62N4O10 and molecular weight 866.45 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,17S)-17-ethyl-17-hydroxy-13-methoxycarbonyl-1,11-diazatetracyclo[13.3.1.04,12.05,10]nonadeca-4(12),5,7,9-tetraen-13-yl]-10-hydroxy-5-methoxy-8-(prop-2-enoxymethyl)-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2,4,6,13-tetraene-10-carboxylate
Also Known As: N-Desmethyl-N-allyloxymethylvinblastine, Vincaleukoblastine, 22-(2-propenyloxy)-, (6'xi)-22-[(Prop-2-en-1-yl)oxy]-2alpha,3alpha,4alpha,5beta,12beta,19beta-vincaleukoblastine
| Molecular Formula | C49H62N4O10 |
|---|---|
| Molecular Weight | 866.45 g/mol |
| LogP | 4.3 |
| Topological Polar Surface Area | 163.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 13 |
| Rotatable Bonds | 14 |
| Exact Mass | 866.4466 |
| Heavy Atoms | 63 |
| Complexity | 1800.0 |
Chemical Identifiers
| CAS Number | 81879-44-9 |
|---|---|
| SMILES | CC[C@@]1(C[C@@H]2C[C@@](C3=C(CCN(C2)C1)C4=CC=CC=C4N3)(C5=C(C=C6C(=C5)[C@]78CCN9[C@H]7[C@@](C=CC9)([C@H]([C@@]([C@@H]8N6COCC=C)(C(=O)OC)O)OC(=O)C)CC)OC)C(=O)OC)O |
| InChIKey | LJEQSFCYKADFEK-BUQSSXLUSA-N |
Product Overview
N-Desmethyl-N-allyloxymethylvinblastine (CAS 81879-44-9), with molecular formula C49H62N4O10 and molecular weight 866.45 g/mol. IUPAC: methyl (1R,9R,10S,11R,12R,19R)-11-acetyloxy-12-ethyl-4-[(13S,15S,17S)-17-ethyl-17-hydroxy-13-methoxycarbonyl-1,11-diazatetracyclo[13.3.1.04,12.05,10]nonadeca-4(12),5,7,9-tetraen-13-yl]-10-hydroxy-5-methoxy-8-(prop-2-enoxymethyl)-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2,4,6,13-tetraene-10-carboxylate.
Chemical Property Profile of N-Desmethyl-N-allyloxymethylvinblastine
Property Insights of N-Desmethyl-N-allyloxymethylvinblastine
The XLogP value of 4.3 indicates that N-Desmethyl-N-allyloxymethylvinblastine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 163.0 Ų indicates high polarity, suggesting N-Desmethyl-N-allyloxymethylvinblastine may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, N-Desmethyl-N-allyloxymethylvinblastine has 3 hydrogen bond donor(s) and 13 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of N-Desmethyl-N-allyloxymethylvinblastine?
The CAS number of N-Desmethyl-N-allyloxymethylvinblastine is 81879-44-9.
What is the molecular formula of N-Desmethyl-N-allyloxymethylvinblastine?
The molecular formula of N-Desmethyl-N-allyloxymethylvinblastine is C49H62N4O10.
What is the molecular weight of N-Desmethyl-N-allyloxymethylvinblastine?
The molecular weight of N-Desmethyl-N-allyloxymethylvinblastine is 866.45 g/mol.
Where can I buy N-Desmethyl-N-allyloxymethylvinblastine?
You can request a quote for N-Desmethyl-N-allyloxymethylvinblastine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-Desmethyl-N-allyloxymethylvinblastine?
Yes, KEHONG BIO provides custom synthesis services for N-Desmethyl-N-allyloxymethylvinblastine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.