14-Chlorodaunorubicin
TL;DR: 14-Chlorodaunorubicin (CAS 121211-39-0) is a chemical compound with molecular formula C20H22ClNO6 and molecular weight 407.11356 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-[[bis(2-hydroxyethyl)amino]methyl]-1-hydroxy-8-methoxyanthracene-9,10-dione;hydrochloride
Also Known As: 14-Chlorodaunorubicin, SK 31653, 3-[[bis(2-hydroxyethyl)amino]methyl]-1-hydroxy-8-methoxyanthracene-9,10-dione hydrochloride, 3-[[bis(2-hydroxyethyl)amino]methyl]-1-hydroxy-8-methoxyanthracene-9,10-dione;hydrochloride, 3-{[Bis(2-hydroxyethyl)amino]methyl}-1-hydroxy-8-methoxyanthracene-9,10-dione--hydrogen chloride (1/1)
Technical Specifications
| Molecular Formula | C20H22ClNO6 |
| Molecular Weight | 407.11356 g/mol |
| XLogP | 1.3846 |
| Topological Polar Surface Area (TPSA) | 107.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 407.11356 Da |
| Heavy Atoms | 28 |
| Complexity | 535.0 |
| SMILES | COC1=CC=CC2=C1C(=O)C3=C(C2=O)C=C(C=C3O)CN(CCO)CCO.Cl |
| InChIKey | VSFVNWAUHHWCPX-UHFFFAOYSA-N |
Chemical Property Profile of 14-Chlorodaunorubicin
Property Insights of 14-Chlorodaunorubicin
The XLogP value of 1.3846 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 14-Chlorodaunorubicin. The TPSA of 107.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 14-Chlorodaunorubicin. Following Lipinski's Rule of Five, 14-Chlorodaunorubicin has 4 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 14-Chlorodaunorubicin?
The CAS number of 14-Chlorodaunorubicin is 121211-39-0.
What is the molecular formula of 14-Chlorodaunorubicin?
The molecular formula of 14-Chlorodaunorubicin is C20H22ClNO6.
What is the molecular weight of 14-Chlorodaunorubicin?
The molecular weight of 14-Chlorodaunorubicin is 407.11356 g/mol.
Where can I buy 14-Chlorodaunorubicin?
You can request a quote for 14-Chlorodaunorubicin directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 14-Chlorodaunorubicin?
Yes, CoreyChem provides custom synthesis services for 14-Chlorodaunorubicin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.