Hydroxyethylvindesine
TL;DR: Hydroxyethylvindesine (CAS 55324-79-3) is a chemical compound with molecular formula C45H59N5O8 and molecular weight 797.44 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 17-ethyl-13-[12-ethyl-10,11-dihydroxy-10-(2-hydroxyethylcarbamoyl)-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-hydroxy-1,11-diazatetracyclo[13.3.1.04,12.05,10]nonadeca-4(12),5,7,9-tetraene-13-carboxylate
Also Known As: Hydroxyethylvindesine, N-(2-Hydroxyethyl)vindesine, Deacetylvinblastine hydroxyethylamide, Vincaleukoblastine, O(sup 4)-deacetyl-3-de(methoxycarbonyl)-3-(((2-hydroxyethyl)amino)carbonyl)-, methyl 17-ethyl-13-[12-ethyl-10,11-dihydroxy-10-(2-hydroxyethylcarbamoyl)-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-hydroxy-1,11-diazatetracyclo[13.3.1.04,12.05,10]nonadeca-4(12),5,7,9-tetraene-13-carboxylate
| Molecular Formula | C45H59N5O8 |
|---|---|
| Molecular Weight | 797.44 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 171.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 9 |
| Exact Mass | 797.43634 |
| Heavy Atoms | 58 |
| Complexity | 1620.0 |
Chemical Identifiers
| CAS Number | 55324-79-3 |
|---|---|
| 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)NCCO)O)O)CC)OC)C(=O)OC)O |
| InChIKey | AJUBQFITBGMEDN-UHFFFAOYSA-N |
Product Overview
Hydroxyethylvindesine (CAS 55324-79-3), with molecular formula C45H59N5O8 and molecular weight 797.44 g/mol. IUPAC: methyl 17-ethyl-13-[12-ethyl-10,11-dihydroxy-10-(2-hydroxyethylcarbamoyl)-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-hydroxy-1,11-diazatetracyclo[13.3.1.04,12.05,10]nonadeca-4(12),5,7,9-tetraene-13-carboxylate.
Chemical Property Profile of Hydroxyethylvindesine
Property Insights of Hydroxyethylvindesine
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Hydroxyethylvindesine. The TPSA of 171.0 Ų indicates high polarity, suggesting Hydroxyethylvindesine may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Hydroxyethylvindesine has 6 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 Hydroxyethylvindesine?
The CAS number of Hydroxyethylvindesine is 55324-79-3.
What is the molecular formula of Hydroxyethylvindesine?
The molecular formula of Hydroxyethylvindesine is C45H59N5O8.
What is the molecular weight of Hydroxyethylvindesine?
The molecular weight of Hydroxyethylvindesine is 797.44 g/mol.
Where can I buy Hydroxyethylvindesine?
You can request a quote for Hydroxyethylvindesine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Hydroxyethylvindesine?
Yes, KEHONG BIO provides custom synthesis services for Hydroxyethylvindesine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.