3'-Deamino-4'-deoxy-4'-epiaminoidarubicin
TL;DR: 3'-Deamino-4'-deoxy-4'-epiaminoidarubicin (CAS 124917-28-8) is a chemical compound with molecular formula C26H27NO8 and molecular weight 481.17368 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(7S,9S)-9-acetyl-7-[(2R,5R,6S)-5-amino-6-methyloxan-2-yl]oxy-6,9,11-trihydroxy-8,10-dihydro-7H-tetracene-5,12-dione
Also Known As: 3'-Deamino-4'-deoxy-4'-epiaminoidarubicin, 3'-Deamino-4'-deoxy-4'-epi-amino-idarubicin, 3 -Deamino-4 -deoxy-4 -epiaminoidarubicin, (7S,9S)-9-acetyl-7-[(2R,5R,6S)-5-amino-6-methyloxan-2-yl]oxy-6,9,11-trihydroxy-8,10-dihydro-7H-tetracene-5,12-dione, (7S,9S)-9-ACETYL-7-{[(2R,5R,6S)-5-AMINO-6-METHYLOXAN-2-YL]OXY}-6,9,11-TRIHYDROXY-5,7,8,9,10,12-HEXAHYDROTETRACENE-5,12-DIONE
Technical Specifications
| Molecular Formula | C26H27NO8 |
| Molecular Weight | 481.17368 g/mol |
| XLogP | 2.8 |
| Topological Polar Surface Area (TPSA) | 156.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 3 |
| Exact Mass | 481.17368 Da |
| Heavy Atoms | 35 |
| Complexity | 879.0 |
| SMILES | C[C@H]1[C@@H](CC[C@@H](O1)O[C@H]2C[C@@](CC3=C2C(=C4C(=C3O)C(=O)C5=CC=CC=C5C4=O)O)(C(=O)C)O)N |
| InChIKey | VNZXULGDRPCCMZ-CJSYMMANSA-N |
Chemical Property Profile of 3'-Deamino-4'-deoxy-4'-epiaminoidarubicin
Property Insights of 3'-Deamino-4'-deoxy-4'-epiaminoidarubicin
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3'-Deamino-4'-deoxy-4'-epiaminoidarubicin. The TPSA of 156.0 Ų indicates high polarity, suggesting 3'-Deamino-4'-deoxy-4'-epiaminoidarubicin may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 3'-Deamino-4'-deoxy-4'-epiaminoidarubicin has 4 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 3'-Deamino-4'-deoxy-4'-epiaminoidarubicin?
The CAS number of 3'-Deamino-4'-deoxy-4'-epiaminoidarubicin is 124917-28-8.
What is the molecular formula of 3'-Deamino-4'-deoxy-4'-epiaminoidarubicin?
The molecular formula of 3'-Deamino-4'-deoxy-4'-epiaminoidarubicin is C26H27NO8.
What is the molecular weight of 3'-Deamino-4'-deoxy-4'-epiaminoidarubicin?
The molecular weight of 3'-Deamino-4'-deoxy-4'-epiaminoidarubicin is 481.17368 g/mol.
Where can I buy 3'-Deamino-4'-deoxy-4'-epiaminoidarubicin?
You can request a quote for 3'-Deamino-4'-deoxy-4'-epiaminoidarubicin directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3'-Deamino-4'-deoxy-4'-epiaminoidarubicin?
Yes, CoreyChem provides custom synthesis services for 3'-Deamino-4'-deoxy-4'-epiaminoidarubicin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.