Daunomycin thiosemicarbazone
TL;DR: Daunomycin thiosemicarbazone (CAS 27908-33-4) is a chemical compound with molecular formula C28H32N4O9S and molecular weight 600.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(E)-1-[4-(4-amino-5-hydroxy-6-methyloxan-2-yl)oxy-2,5,12-trihydroxy-7-methoxy-6,11-dioxo-3,4-dihydro-1H-tetracen-2-yl]ethylideneamino]thiourea
Also Known As: Cideferron, Daunomycin thiosemicarbazone, Daunomycin, 3-(thiosemicarbazone), Hydrazinecarboxamide, 2-(1-(4-((3-amino-2,3,6-triethoxy-alpha-L-lyxo-hexopyranosyl)oxy)-1,2,3,4,6,11-hexahydro-2,5,12-trihydroxy-7-methoxy-6,11-dioxo-2-naphthacenyl)ethylidene)-, (2S-cis)-, Hydrazinecarbothioamide, 2-[1-[4-[(3-amino-2,3,6-trideoxy-.alpha.-L-lyxo-hexopyranosyl)oxy]-1,2,3,4,9,11-hexahydro-2,5,12-trihydroxy-7-methoxy-6,11-dioxo-2-naphthacenyl]ethylidene]-, (2S-cis)-
| Molecular Formula | C28H32N4O9S |
|---|---|
| Molecular Weight | 600.19 g/mol |
| LogP | 0.649 |
| Topological Polar Surface Area | 219.18 Ų |
| Hydrogen Bond Donors | 7 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 5 |
| Exact Mass | 600.189 |
| Heavy Atoms | 42 |
| Complexity | 1517.4286 |
Chemical Identifiers
| CAS Number | 27908-33-4 |
|---|---|
| SMILES | CC1C(C(CC(O1)OC2CC(CC3=C2C(=C4C(=C3O)C(=O)C5=C(C4=O)C(=CC=C5)OC)O)(/C(=N/NC(=S)N)/C)O)N)O |
Product Overview
Daunomycin thiosemicarbazone (CAS 27908-33-4), with molecular formula C28H32N4O9S and molecular weight 600.19 g/mol. IUPAC: [(E)-1-[4-(4-amino-5-hydroxy-6-methyloxan-2-yl)oxy-2,5,12-trihydroxy-7-methoxy-6,11-dioxo-3,4-dihydro-1H-tetracen-2-yl]ethylideneamino]thiourea.
Chemical Property Profile of Daunomycin thiosemicarbazone
Property Insights of Daunomycin thiosemicarbazone
The XLogP value of 0.649 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Daunomycin thiosemicarbazone. The TPSA of 219.18 Ų indicates high polarity, suggesting Daunomycin thiosemicarbazone may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Daunomycin thiosemicarbazone has 7 hydrogen bond donor(s) and 12 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Daunomycin thiosemicarbazone?
The CAS number of Daunomycin thiosemicarbazone is 27908-33-4.
What is the molecular formula of Daunomycin thiosemicarbazone?
The molecular formula of Daunomycin thiosemicarbazone is C28H32N4O9S.
What is the molecular weight of Daunomycin thiosemicarbazone?
The molecular weight of Daunomycin thiosemicarbazone is 600.19 g/mol.
Where can I buy Daunomycin thiosemicarbazone?
You can request a quote for Daunomycin thiosemicarbazone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Daunomycin thiosemicarbazone?
Yes, KEHONG BIO provides custom synthesis services for Daunomycin thiosemicarbazone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.