Daunorubicin semiquinone free radical
TL;DR: Daunorubicin semiquinone free radical (CAS 73025-64-6) is a chemical compound with molecular formula C27H31NO10 and molecular weight 529.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[4-(4-amino-5-hydroxy-6-methyloxan-2-yl)oxy-2,5,6,11,12-pentahydroxy-7-methoxy-3,4-dihydro-1H-tetracen-2-yl]ethanone
Also Known As: Daunorubicin semiquinone free radical, 5-Naphthacenyloxy, 8-acetyl-10-((3-amino-2,3,6-trideoxy-alpha-L-lyxo-hexopyranosyl)oxy)-7,8,9,10-tetrahydro-6,8,11,12-tetrahydroxy-1-methoxy-, (8S-cis)-, 1-[4-(4-amino-5-hydroxy-6-methyloxan-2-yl)oxy-2,5,6,11,12-pentahydroxy-7-methoxy-3,4-dihydro-1H-tetracen-2-yl]ethanone, 3-acetyl-3,5,6,11,12-pentahydroxy-10-methoxy-1,2,3,4-tetrahydrotetracen-1-yl 3-amino-2,3,6-trideoxyhexopyranoside, DM1
| Molecular Formula | C27H31NO10 |
|---|---|
| Molecular Weight | 529.19 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 192.0 Ų |
| Hydrogen Bond Donors | 7 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 4 |
| Exact Mass | 529.1948 |
| Heavy Atoms | 38 |
| Complexity | 877.0 |
Chemical Identifiers
| CAS Number | 73025-64-6 |
|---|---|
| SMILES | CC1C(C(CC(O1)OC2CC(CC3=C(C4=C(C5=C(C(=CC=C5)OC)C(=C4C(=C23)O)O)O)O)(C(=O)C)O)N)O |
| InChIKey | CKMVMCCHLBRIQQ-UHFFFAOYSA-N |
Product Overview
Daunorubicin semiquinone free radical (CAS 73025-64-6), with molecular formula C27H31NO10 and molecular weight 529.19 g/mol. IUPAC: 1-[4-(4-amino-5-hydroxy-6-methyloxan-2-yl)oxy-2,5,6,11,12-pentahydroxy-7-methoxy-3,4-dihydro-1H-tetracen-2-yl]ethanone.
Chemical Property Profile of Daunorubicin semiquinone free radical
Property Insights of Daunorubicin semiquinone free radical
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Daunorubicin semiquinone free radical. The TPSA of 192.0 Ų indicates high polarity, suggesting Daunorubicin semiquinone free radical may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Daunorubicin semiquinone free radical has 7 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 Daunorubicin semiquinone free radical?
The CAS number of Daunorubicin semiquinone free radical is 73025-64-6.
What is the molecular formula of Daunorubicin semiquinone free radical?
The molecular formula of Daunorubicin semiquinone free radical is C27H31NO10.
What is the molecular weight of Daunorubicin semiquinone free radical?
The molecular weight of Daunorubicin semiquinone free radical is 529.19 g/mol.
Where can I buy Daunorubicin semiquinone free radical?
You can request a quote for Daunorubicin semiquinone free radical directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Daunorubicin semiquinone free radical?
Yes, KEHONG BIO provides custom synthesis services for Daunorubicin semiquinone free radical and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.