Ethyl Daunorubicin
TL;DR: Ethyl Daunorubicin (CAS 771423-67-7) is a chemical compound with molecular formula C28H31NO10 and molecular weight 541.19 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-4-methoxy-9-propanoyl-8,10-dihydro-7H-tetracene-5,12-dione
Also Known As: Ethyl Daunorubicin, 7-(4-amino-5-hydroxy-6-methyloxan-2-yl)oxy-6,9,11-trihydroxy-4-methoxy-9-propanoyl-8,10-dihydro-7H-tetracene-5,12-dione
| Molecular Formula | C28H31NO10 |
|---|---|
| Molecular Weight | 541.19 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 186.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 5 |
| Exact Mass | 541.1948 |
| Heavy Atoms | 39 |
| Complexity | 976.0 |
Chemical Identifiers
| CAS Number | 771423-67-7 |
|---|---|
| SMILES | CCC(=O)C1(CC(C2=C(C1)C(=C3C(=C2O)C(=O)C4=C(C3=O)C=CC=C4OC)O)OC5CC(C(C(O5)C)O)N)O |
| InChIKey | CZQVKXODOPXMJQ-UHFFFAOYSA-N |
Product Overview
Ethyl Daunorubicin (CAS 771423-67-7), with molecular formula C28H31NO10 and molecular weight 541.19 g/mol. IUPAC: 7-(4-amino-5-hydroxy-6-methyloxan-2-yl)oxy-6,9,11-trihydroxy-4-methoxy-9-propanoyl-8,10-dihydro-7H-tetracene-5,12-dione.
Chemical Property Profile of Ethyl Daunorubicin
Property Insights of Ethyl Daunorubicin
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl Daunorubicin. The TPSA of 186.0 Ų indicates high polarity, suggesting Ethyl Daunorubicin may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Ethyl Daunorubicin has 5 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 Ethyl Daunorubicin?
The CAS number of Ethyl Daunorubicin is 771423-67-7.
What is the molecular formula of Ethyl Daunorubicin?
The molecular formula of Ethyl Daunorubicin is C28H31NO10.
What is the molecular weight of Ethyl Daunorubicin?
The molecular weight of Ethyl Daunorubicin is 541.19 g/mol.
Where can I buy Ethyl Daunorubicin?
You can request a quote for Ethyl Daunorubicin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl Daunorubicin?
Yes, KEHONG BIO provides custom synthesis services for Ethyl Daunorubicin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.