Daunomycin semicarbazone
TL;DR: Daunomycin semicarbazone (CAS 27908-32-3) is a chemical compound with molecular formula C28H32N4O10 and molecular weight 584.21 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]urea
Also Known As: Daunomycin semicarbazone, Daunomycin, 3-semicarbazone, Daunomycin semicarbazone hydrochloride, Hydrazinecarboxamide, 2-(1-(4-((3-amino-2,3,6-trideoxy-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)-, Hydrazinecarboxamide, 2-[1-[4-[(3-amino-2,3,6-trideoxy-.alpha.-L-lyxo-hexopyranosyl)oxy]-1,2,3,4,6,11-hexahydro-3,5,12-trihydroxy-7-methoxy-6,11-dioxo-2-naphthacenyl]ethylidene]-, (2S-cis)-
| Molecular Formula | C28H32N4O10 |
|---|---|
| Molecular Weight | 584.21 g/mol |
| LogP | 0.4841 |
| Topological Polar Surface Area | 236.25 Ų |
| Hydrogen Bond Donors | 7 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 5 |
| Exact Mass | 584.21185 |
| Heavy Atoms | 42 |
| Complexity | 1512.7386 |
Chemical Identifiers
| CAS Number | 27908-32-3 |
|---|---|
| SMILES | CC1C(C(CC(O1)OC2CC(CC3=C2C(=C4C(=C3O)C(=O)C5=C(C4=O)C(=CC=C5)OC)O)(/C(=N/NC(=O)N)/C)O)N)O |
Product Overview
Daunomycin semicarbazone (CAS 27908-32-3), with molecular formula C28H32N4O10 and molecular weight 584.21 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]urea.
Chemical Property Profile of Daunomycin semicarbazone
Property Insights of Daunomycin semicarbazone
The XLogP value of 0.4841 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Daunomycin semicarbazone. The TPSA of 236.25 Ų indicates high polarity, suggesting Daunomycin semicarbazone may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Daunomycin semicarbazone 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 semicarbazone?
The CAS number of Daunomycin semicarbazone is 27908-32-3.
What is the molecular formula of Daunomycin semicarbazone?
The molecular formula of Daunomycin semicarbazone is C28H32N4O10.
What is the molecular weight of Daunomycin semicarbazone?
The molecular weight of Daunomycin semicarbazone is 584.21 g/mol.
Where can I buy Daunomycin semicarbazone?
You can request a quote for Daunomycin semicarbazone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Daunomycin semicarbazone?
Yes, KEHONG BIO provides custom synthesis services for Daunomycin semicarbazone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.