Bis(N-ethylidenevindesine)disulfide, sulfate salt
TL;DR: Bis(N-ethylidenevindesine)disulfide, sulfate salt (CAS 73609-98-0) is a chemical compound with molecular formula C90H120N10O22S4 and molecular weight 1820.75 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-[2-[2-[[12-ethyl-4-(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-carbonyl]amino]ethyldisulfanyl]ethylcarbamoyl]-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-hydroxy-1,11-diazatetracyclo[13.3.1.04,12.05,10]nonadeca-4(12),5,7,9-tetraene-13-carboxylate;sulfuric acid
Also Known As: Bis(N-ethylidenevindesine)disulfide, sulfate salt, Bis(N-ethylidenevindesine)disulfide sulfate, C90-H116-N10-O14-S2.(H2-O4-S)x-, Vincaleukoblastine, 3,3-dithiobis(ethyleneiminocarbonyl)bis(O(sup 4)-deacetyl-3-de(methoxycarbonyl)-, sulfate, Vincaleukoblastine, 3,3''-[dithiobis(2,1-ethanediyliminocarbonyl)]bis[O4-deacetyl-3-de(methoxycarbonyl)-, sulfate (1:2) (salt)
| Molecular Formula | C90H120N10O22S4 |
|---|---|
| Molecular Weight | 1820.75 g/mol |
| LogP | 5.816 |
| Topological Polar Surface Area | 450.86 Ų |
| Hydrogen Bond Donors | 14 |
| Hydrogen Bond Acceptors | 26 |
| Rotatable Bonds | 19 |
| Exact Mass | 1820.7461 |
| Heavy Atoms | 126 |
| Complexity | 5216.4263 |
Chemical Identifiers
| CAS Number | 73609-98-0 |
|---|---|
| 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)NCCSSCCNC(=O)C1(C2C3(CCN4C3C(C1O)(C=CC4)CC)C1=CC(=C(C=C1N2C)OC)C1(CC2CC(CN(C2)CCC2=C1NC1=CC=CC=C21)(CC)O)C(=O)OC)O)O)O)CC)OC)C(=O)OC)O.OS(=O)(=O)O.OS(=O)(=O)O |
Product Overview
Bis(N-ethylidenevindesine)disulfide, sulfate salt (CAS 73609-98-0), with molecular formula C90H120N10O22S4 and molecular weight 1820.75 g/mol. IUPAC: methyl 17-ethyl-13-[12-ethyl-10-[2-[2-[[12-ethyl-4-(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-carbonyl]amino]ethyldisulfanyl]ethylcarbamoyl]-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-hydroxy-1,11-diazatetracyclo[13.3.1.04,12.05,10]nonadeca-4(12),5,7,9-tetraene-13-carboxylate;sulfuric acid.
Chemical Property Profile of Bis(N-ethylidenevindesine)disulfide, sulfate salt
Property Insights of Bis(N-ethylidenevindesine)disulfide, sulfate salt
The XLogP value of 5.816 indicates that Bis(N-ethylidenevindesine)disulfide, sulfate salt is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 450.86 Ų indicates high polarity, suggesting Bis(N-ethylidenevindesine)disulfide, sulfate salt may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Bis(N-ethylidenevindesine)disulfide, sulfate salt has 14 hydrogen bond donor(s) and 26 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Bis(N-ethylidenevindesine)disulfide, sulfate salt?
The CAS number of Bis(N-ethylidenevindesine)disulfide, sulfate salt is 73609-98-0.
What is the molecular formula of Bis(N-ethylidenevindesine)disulfide, sulfate salt?
The molecular formula of Bis(N-ethylidenevindesine)disulfide, sulfate salt is C90H120N10O22S4.
What is the molecular weight of Bis(N-ethylidenevindesine)disulfide, sulfate salt?
The molecular weight of Bis(N-ethylidenevindesine)disulfide, sulfate salt is 1820.75 g/mol.
Where can I buy Bis(N-ethylidenevindesine)disulfide, sulfate salt?
You can request a quote for Bis(N-ethylidenevindesine)disulfide, sulfate salt directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Bis(N-ethylidenevindesine)disulfide, sulfate salt?
Yes, KEHONG BIO provides custom synthesis services for Bis(N-ethylidenevindesine)disulfide, sulfate salt and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.