Cororubicin
TL;DR: Cororubicin (CAS 160605-92-5) is a chemical compound with molecular formula C48H62N2O21 and molecular weight 1002.3845 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
methyl 24-[5-[5-(4,5-dihydroxy-6-methyloxan-2-yl)oxy-4,6-dimethyl-4-nitrooxan-2-yl]oxy-4-hydroxy-6-methyloxan-2-yl]oxy-23-(dimethylamino)-4,8,12,22-tetrahydroxy-1,12-dimethyl-6,17-dioxo-20,25-dioxahexacyclo[19.3.1.02,19.05,18.07,16.09,14]pentacosa-2,4,7(16),8,14,18-hexaene-13-carboxylate
Also Known As: Cororubicin, methyl 24-[5-[5-(4,5-dihydroxy-6-methyloxan-2-yl)oxy-4,6-dimethyl-4-nitrooxan-2-yl]oxy-4-hydroxy-6-methyloxan-2-yl]oxy-23-(dimethylamino)-4,8,12,22-tetrahydroxy-1,12-dimethyl-6,17-dioxo-20,25-dioxahexacyclo[19.3.1.02,19.05,18.07,16.09,14]pentacosa-2,4,7(16),8,14,18-hexaene-13-carboxylate, 2,6-Epoxy-2H-naphthaceno(1,2-b)oxocin-14-carboxylic acid, 5-((O-2,6-dideoxy-alpha-L-lyxo-hexopyranosyl-(1->4)-O-2,3,6-trideoxy-3-C-methyl-3-nitro-beta-L-ribo-hexopyranosyl-(1->4)-2,6-dideoxy-alpha-L-lyxo-hexopyranosyl)oxy)-4-(dimethylamino)-3,4,5,6,9,11,12,13,14,16-decahydro-3,8,10,13-tetrahydroxy-6,13-dimethyl-9,16-dioxo-, methyl ester
Technical Specifications
| Molecular Formula | C48H62N2O21 |
| Molecular Weight | 1002.3845 g/mol |
| XLogP | 1.7 |
| Topological Polar Surface Area (TPSA) | 325.0 Ų |
| Hydrogen Bond Donors | 7 |
| Hydrogen Bond Acceptors | 22 |
| Rotatable Bonds | 9 |
| Exact Mass | 1002.3845 Da |
| Heavy Atoms | 71 |
| Complexity | 2030.0 |
| SMILES | CC1C(C(CC(O1)OC2C(OC(CC2(C)[N+](=O)[O-])OC3C(OC(CC3O)OC4C(C(C5OC6=C7C(=C(C=C6C4(O5)C)O)C(=O)C8=C(C7=O)C=C9C(C(CCC9=C8O)(C)O)C(=O)OC)O)N(C)C)C)C)O)O |
| InChIKey | MSWPFMVQHLUEJE-UHFFFAOYSA-N |
Chemical Property Profile of Cororubicin
Property Insights of Cororubicin
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Cororubicin. The TPSA of 325.0 Ų indicates high polarity, suggesting Cororubicin may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Cororubicin has 7 hydrogen bond donor(s) and 22 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of Cororubicin?
The CAS number of Cororubicin is 160605-92-5.
What is the molecular formula of Cororubicin?
The molecular formula of Cororubicin is C48H62N2O21.
What is the molecular weight of Cororubicin?
The molecular weight of Cororubicin is 1002.3845 g/mol.
Where can I buy Cororubicin?
You can request a quote for Cororubicin directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Cororubicin?
Yes, CoreyChem provides custom synthesis services for Cororubicin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.