9-O-Daunosaminyl-4-demethoxydaunorubicin
TL;DR: 9-O-Daunosaminyl-4-demethoxydaunorubicin (CAS 6330-04-7) is a chemical compound with molecular formula C32H40Cl2N2O11 and molecular weight 698.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
9-acetyl-8,9-bis[(4-amino-5-hydroxy-6-methyloxan-2-yl)oxy]-6,11-dihydroxy-8,10-dihydro-7H-tetracene-5,12-dione;dihydrochloride
Also Known As: 9-Dadd, Daunorubicin Impurity 3 DiHCl, Daunorubicin Impurity 15 DiHCl, 9-O-Daunosaminyl-4-demethoxydaunorubicin, Daunorubicin Impurity 3 Dihydrochloride
| Molecular Formula | C32H40Cl2N2O11 |
|---|---|
| Molecular Weight | 698.20 g/mol |
| LogP | 1.1912 |
| Topological Polar Surface Area | 221.0 Ų |
| Hydrogen Bond Donors | 8 |
| Hydrogen Bond Acceptors | 13 |
| Rotatable Bonds | 5 |
| Exact Mass | 698.2009 |
| Heavy Atoms | 47 |
| Complexity | 1160.0 |
Chemical Identifiers
| CAS Number | 6330-04-7 |
|---|---|
| SMILES | CC1C(C(CC(O1)OC2CC3=C(CC2(C(=O)C)OC4CC(C(C(O4)C)O)N)C(=C5C(=C3O)C(=O)C6=CC=CC=C6C5=O)O)N)O.Cl.Cl |
| InChIKey | ZCYOZMZVADHTNV-UHFFFAOYSA-N |
Product Overview
9-O-Daunosaminyl-4-demethoxydaunorubicin (CAS 6330-04-7), with molecular formula C32H40Cl2N2O11 and molecular weight 698.20 g/mol. IUPAC: 9-acetyl-8,9-bis[(4-amino-5-hydroxy-6-methyloxan-2-yl)oxy]-6,11-dihydroxy-8,10-dihydro-7H-tetracene-5,12-dione;dihydrochloride.
Chemical Property Profile of 9-O-Daunosaminyl-4-demethoxydaunorubicin
Property Insights of 9-O-Daunosaminyl-4-demethoxydaunorubicin
The XLogP value of 1.1912 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 9-O-Daunosaminyl-4-demethoxydaunorubicin. The TPSA of 221.0 Ų indicates high polarity, suggesting 9-O-Daunosaminyl-4-demethoxydaunorubicin may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 9-O-Daunosaminyl-4-demethoxydaunorubicin has 8 hydrogen bond donor(s) and 13 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 9-O-Daunosaminyl-4-demethoxydaunorubicin?
The CAS number of 9-O-Daunosaminyl-4-demethoxydaunorubicin is 6330-04-7.
What is the molecular formula of 9-O-Daunosaminyl-4-demethoxydaunorubicin?
The molecular formula of 9-O-Daunosaminyl-4-demethoxydaunorubicin is C32H40Cl2N2O11.
What is the molecular weight of 9-O-Daunosaminyl-4-demethoxydaunorubicin?
The molecular weight of 9-O-Daunosaminyl-4-demethoxydaunorubicin is 698.20 g/mol.
Where can I buy 9-O-Daunosaminyl-4-demethoxydaunorubicin?
You can request a quote for 9-O-Daunosaminyl-4-demethoxydaunorubicin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 9-O-Daunosaminyl-4-demethoxydaunorubicin?
Yes, KEHONG BIO provides custom synthesis services for 9-O-Daunosaminyl-4-demethoxydaunorubicin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.