3'-Desamino-3'-dimethylformamidinedoxorubicin
TL;DR: 3'-Desamino-3'-dimethylformamidinedoxorubicin (CAS 119864-31-2) is a chemical compound with molecular formula C30H34N2O11 and molecular weight 598.21625 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N'-[(2S,3S,4S,6R)-3-hydroxy-2-methyl-6-[[(1S,3S)-3,5,12-trihydroxy-3-(2-hydroxyacetyl)-10-methoxy-6,11-dioxo-2,4-dihydro-1H-tetracen-1-yl]oxy]oxan-4-yl]-N,N-dimethylmethanimidamide
Also Known As: 3'-Dfd, 3'-Desamino-3'-dimethylformamidinedoxorubicin, 3/'-desamino-3/'-dimethylformamidinedoxorubicin, N'-[(2S,3S,4S,6R)-3-hydroxy-2-methyl-6-[[(1S,3S)-3,5,12-trihydroxy-3-(2-hydroxyacetyl)-10-methoxy-6,11-dioxo-2,4-dihydro-1H-tetracen-1-yl]oxy]oxan-4-yl]-N,N-dimethylmethanimidamide, 5,12-Naphthacenedione, 7,8,9,10-tetrahydro-6,8,11-trihydroxy-8-(hydroxyacetyl)-1-methoxy-10-((2,3,6-trideoxy-3-(((dimethylamino)methylene)amino)-alpha-L-lyxo-hexopyranosyl)oxy)-, (8S-cis)-
Technical Specifications
| Molecular Formula | C30H34N2O11 |
| Molecular Weight | 598.21625 g/mol |
| XLogP | 1.8 |
| Topological Polar Surface Area (TPSA) | 196.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 7 |
| Exact Mass | 598.21625 Da |
| Heavy Atoms | 43 |
| Complexity | 1100.0 |
| SMILES | C[C@H]1[C@H]([C@H](C[C@@H](O1)O[C@H]2C[C@@](CC3=C2C(=C4C(=C3O)C(=O)C5=C(C4=O)C(=CC=C5)OC)O)(C(=O)CO)O)N=CN(C)C)O |
| InChIKey | ULJQQPCJMGOUAT-JCBJOBGESA-N |
Chemical Property Profile of 3'-Desamino-3'-dimethylformamidinedoxorubicin
Property Insights of 3'-Desamino-3'-dimethylformamidinedoxorubicin
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3'-Desamino-3'-dimethylformamidinedoxorubicin. The TPSA of 196.0 Ų indicates high polarity, suggesting 3'-Desamino-3'-dimethylformamidinedoxorubicin may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 3'-Desamino-3'-dimethylformamidinedoxorubicin has 5 hydrogen bond donor(s) and 12 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of 3'-Desamino-3'-dimethylformamidinedoxorubicin?
The CAS number of 3'-Desamino-3'-dimethylformamidinedoxorubicin is 119864-31-2.
What is the molecular formula of 3'-Desamino-3'-dimethylformamidinedoxorubicin?
The molecular formula of 3'-Desamino-3'-dimethylformamidinedoxorubicin is C30H34N2O11.
What is the molecular weight of 3'-Desamino-3'-dimethylformamidinedoxorubicin?
The molecular weight of 3'-Desamino-3'-dimethylformamidinedoxorubicin is 598.21625 g/mol.
Where can I buy 3'-Desamino-3'-dimethylformamidinedoxorubicin?
You can request a quote for 3'-Desamino-3'-dimethylformamidinedoxorubicin directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3'-Desamino-3'-dimethylformamidinedoxorubicin?
Yes, CoreyChem provides custom synthesis services for 3'-Desamino-3'-dimethylformamidinedoxorubicin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.