Daunomycin 3-oxime hydrochloride
TL;DR: Daunomycin 3-oxime hydrochloride (CAS 33644-59-6) is a chemical compound with molecular formula C27H30N2O10 and molecular weight 542.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-(4-amino-5-hydroxy-6-methyloxan-2-yl)oxy-6,9,11-trihydroxy-9-(N-hydroxy-C-methylcarbonimidoyl)-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione
Also Known As: Daunomycin oxime, Daunomycin 3-oxime hydrochloride, Daunorubicin oxime hydrochloride, Daunomycin, 3-oxime, monohydrochloride, Daunomycin, 3-oxime, monohydrochloride (8CI)
| Molecular Formula | C27H30N2O10 |
|---|---|
| Molecular Weight | 542.19 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 201.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 4 |
| Exact Mass | 542.19006 |
| Heavy Atoms | 39 |
| Complexity | 994.0 |
Chemical Identifiers
| CAS Number | 33644-59-6 |
|---|---|
| SMILES | CC1C(C(CC(O1)OC2CC(CC3=C2C(=C4C(=C3O)C(=O)C5=C(C4=O)C(=CC=C5)OC)O)(C(=NO)C)O)N)O |
| InChIKey | HUDHPOXZMUHYAB-UHFFFAOYSA-N |
Product Overview
Daunomycin 3-oxime hydrochloride (CAS 33644-59-6), with molecular formula C27H30N2O10 and molecular weight 542.19 g/mol. IUPAC: 7-(4-amino-5-hydroxy-6-methyloxan-2-yl)oxy-6,9,11-trihydroxy-9-(N-hydroxy-C-methylcarbonimidoyl)-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione.
Chemical Property Profile of Daunomycin 3-oxime hydrochloride
Property Insights of Daunomycin 3-oxime hydrochloride
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Daunomycin 3-oxime hydrochloride. The TPSA of 201.0 Ų indicates high polarity, suggesting Daunomycin 3-oxime hydrochloride may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Daunomycin 3-oxime hydrochloride has 6 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 3-oxime hydrochloride?
The CAS number of Daunomycin 3-oxime hydrochloride is 33644-59-6.
What is the molecular formula of Daunomycin 3-oxime hydrochloride?
The molecular formula of Daunomycin 3-oxime hydrochloride is C27H30N2O10.
What is the molecular weight of Daunomycin 3-oxime hydrochloride?
The molecular weight of Daunomycin 3-oxime hydrochloride is 542.19 g/mol.
Where can I buy Daunomycin 3-oxime hydrochloride?
You can request a quote for Daunomycin 3-oxime hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Daunomycin 3-oxime hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for Daunomycin 3-oxime hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.