4-Desacetylvinblastine
TL;DR: 4-Desacetylvinblastine (CAS 3352-69-0) is a chemical compound with molecular formula C44H56N4O8 and molecular weight 768.41 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl (9R,10S,11R,12R,19R)-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]-10,11-dihydroxy-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: 4-Desacetylvinblastine, Desacetylvinblastine, Deacetylvinblastine, 4-Deacetylvinblastine, deacetyl-vinblastine
| Molecular Formula | C44H56N4O8 |
|---|---|
| Molecular Weight | 768.41 g/mol |
| LogP | 3.7 |
| Topological Polar Surface Area | 148.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 8 |
| Exact Mass | 768.4098 |
| Heavy Atoms | 56 |
| Complexity | 1580.0 |
Chemical Identifiers
| CAS Number | 3352-69-0 |
|---|---|
| SMILES | CC[C@@]1(C[C@@H]2C[C@@](C3=C(CCN(C2)C1)C4=CC=CC=C4N3)(C5=C(C=C6C(=C5)C78CCN9[C@H]7[C@@](C=CC9)([C@H]([C@@]([C@@H]8N6C)(C(=O)OC)O)O)CC)OC)C(=O)OC)O |
| InChIKey | NDMPLJNOPCLANR-SAYSVMKTSA-N |
Product Overview
4-Desacetylvinblastine (CAS 3352-69-0), with molecular formula C44H56N4O8 and molecular weight 768.41 g/mol. IUPAC: methyl (9R,10S,11R,12R,19R)-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]-10,11-dihydroxy-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 4-Desacetylvinblastine
Property Insights of 4-Desacetylvinblastine
The XLogP value of 3.7 indicates that 4-Desacetylvinblastine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 148.0 Ų indicates high polarity, suggesting 4-Desacetylvinblastine may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 4-Desacetylvinblastine has 4 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 4-Desacetylvinblastine?
The CAS number of 4-Desacetylvinblastine is 3352-69-0.
What is the molecular formula of 4-Desacetylvinblastine?
The molecular formula of 4-Desacetylvinblastine is C44H56N4O8.
What is the molecular weight of 4-Desacetylvinblastine?
The molecular weight of 4-Desacetylvinblastine is 768.41 g/mol.
Where can I buy 4-Desacetylvinblastine?
You can request a quote for 4-Desacetylvinblastine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Desacetylvinblastine?
Yes, KEHONG BIO provides custom synthesis services for 4-Desacetylvinblastine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.