Nemorubicin
TL;DR: Nemorubicin (CAS 108943-08-4) is a chemical compound with molecular formula C32H37NO13 and molecular weight 643.2265 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(7S,9S)-6,9,11-trihydroxy-9-(2-hydroxyacetyl)-7-[5-hydroxy-4-[(2S)-2-methoxymorpholin-4-yl]-6-methyloxan-2-yl]oxy-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione
Also Known As: Nemorubicin, (7S,9S)-6,9,11-trihydroxy-9-(2-hydroxyacetyl)-7-[5-hydroxy-4-[(2S)-2-methoxymorpholin-4-yl]-6-methyloxan-2-yl]oxy-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione
Technical Specifications
| Molecular Formula | C32H37NO13 |
| Molecular Weight | 643.2265 g/mol |
| XLogP | 1.7 |
| Topological Polar Surface Area (TPSA) | 202.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 14 |
| Rotatable Bonds | 7 |
| Exact Mass | 643.2265 Da |
| Heavy Atoms | 46 |
| Complexity | 1160.0 |
| SMILES | CC1C(C(CC(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)N6CCO[C@@H](C6)OC)O |
| InChIKey | CTMCWCONSULRHO-VOAJIXTCSA-N |
Chemical Property Profile of Nemorubicin
Property Insights of Nemorubicin
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Nemorubicin. The TPSA of 202.0 Ų indicates high polarity, suggesting Nemorubicin may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Nemorubicin has 5 hydrogen bond donor(s) and 14 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of Nemorubicin?
The CAS number of Nemorubicin is 108943-08-4.
What is the molecular formula of Nemorubicin?
The molecular formula of Nemorubicin is C32H37NO13.
What is the molecular weight of Nemorubicin?
The molecular weight of Nemorubicin is 643.2265 g/mol.
Where can I buy Nemorubicin?
You can request a quote for Nemorubicin directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Nemorubicin?
Yes, CoreyChem provides custom synthesis services for Nemorubicin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.