Rodorubicin
TL;DR: Rodorubicin (CAS 96497-67-5) is a chemical compound with molecular formula C48H64N2O17 and molecular weight 940.42 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(7S,9R,10R)-7-[(2R,4S,5S,6S)-4-(dimethylamino)-5-[[(1R,3R,5S,8S,10S,12S,14S)-5,14-dimethyl-6-oxo-2,4,9,13-tetraoxatricyclo[8.4.0.03,8]tetradecan-12-yl]oxy]-6-methyloxan-2-yl]oxy-10-[(2S,4S,5S,6S)-4-(dimethylamino)-5-hydroxy-6-methyloxan-2-yl]oxy-9-ethyl-4,6,9,11-tetrahydroxy-8,10-dihydro-7H-tetracene-5,12-dione
Also Known As: RODORUBICIN, Rodorubicina, Rodorubicine, Cytorhodin S, Rodorubicinum
| Molecular Formula | C48H64N2O17 |
|---|---|
| Molecular Weight | 940.42 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 242.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 19 |
| Rotatable Bonds | 9 |
| Exact Mass | 940.4205 |
| Heavy Atoms | 67 |
| Complexity | 1810.0 |
Chemical Identifiers
| CAS Number | 96497-67-5 |
|---|---|
| SMILES | CC[C@]1(C[C@@H](C2=C([C@H]1O[C@H]3C[C@@H]([C@@H]([C@@H](O3)C)O)N(C)C)C(=C4C(=C2O)C(=O)C5=C(C4=O)C=CC=C5O)O)O[C@H]6C[C@@H]([C@@H]([C@@H](O6)C)O[C@H]7C[C@H]8[C@@H]([C@@H](O7)C)O[C@H]9[C@@H](O8)CC(=O)[C@@H](O9)C)N(C)C)O |
| InChIKey | JXVAMODRWBNUSF-KZQKBALLSA-N |
Patent-Derived Application Labels
Derived from 9 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Rodorubicin (CAS 96497-67-5), with molecular formula C48H64N2O17 and molecular weight 940.42 g/mol. IUPAC: (7S,9R,10R)-7-[(2R,4S,5S,6S)-4-(dimethylamino)-5-[[(1R,3R,5S,8S,10S,12S,14S)-5,14-dimethyl-6-oxo-2,4,9,13-tetraoxatricyclo[8.4.0.03,8]tetradecan-12-yl]oxy]-6-methyloxan-2-yl]oxy-10-[(2S,4S,5S,6S)-4-(dimethylamino)-5-hydroxy-6-methyloxan-2-yl]oxy-9-ethyl-4,6,9,11-tetrahydroxy-8,10-dihydro-7H-tetracene-5,12-dione.
Chemical Property Profile of Rodorubicin
Property Insights of Rodorubicin
The XLogP value of 3.4 indicates that Rodorubicin is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 242.0 Ų indicates high polarity, suggesting Rodorubicin may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Rodorubicin has 5 hydrogen bond donor(s) and 19 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Rodorubicin?
The CAS number of Rodorubicin is 96497-67-5.
What is the molecular formula of Rodorubicin?
The molecular formula of Rodorubicin is C48H64N2O17.
What is the molecular weight of Rodorubicin?
The molecular weight of Rodorubicin is 940.42 g/mol.
Where can I buy Rodorubicin?
You can request a quote for Rodorubicin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Rodorubicin?
Yes, KEHONG BIO provides custom synthesis services for Rodorubicin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.