Idarubicinol
TL;DR: Idarubicinol (CAS 92552-42-6) is a chemical compound with molecular formula C26H29NO9 and molecular weight 499.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(9S)-7-[(2R,4S,5S,6S)-4-amino-5-hydroxy-6-methyloxan-2-yl]oxy-6,9,11-trihydroxy-9-[(1S)-1-hydroxyethyl]-8,10-dihydro-7H-tetracene-5,12-dione
Also Known As: Idarubicinol, 13-dihydroidarubicin, 4-Demethoxydaunorubicinol, Antibiotic FCE 22723, KST-1A8934
| Molecular Formula | C26H29NO9 |
|---|---|
| Molecular Weight | 499.18 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 180.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 3 |
| Exact Mass | 499.18423 |
| Heavy Atoms | 36 |
| Complexity | 870.0 |
Chemical Identifiers
| CAS Number | 92552-42-6 |
|---|---|
| SMILES | C[C@H]1[C@H]([C@H](C[C@@H](O1)OC2C[C@@](CC3=C2C(=C4C(=C3O)C(=O)C5=CC=CC=C5C4=O)O)([C@H](C)O)O)N)O |
| InChIKey | KMIBSUUWQWSRQV-KESCCHOKSA-N |
Product Overview
Idarubicinol (CAS 92552-42-6), with molecular formula C26H29NO9 and molecular weight 499.18 g/mol. IUPAC: (9S)-7-[(2R,4S,5S,6S)-4-amino-5-hydroxy-6-methyloxan-2-yl]oxy-6,9,11-trihydroxy-9-[(1S)-1-hydroxyethyl]-8,10-dihydro-7H-tetracene-5,12-dione.
Chemical Property Profile of Idarubicinol
Property Insights of Idarubicinol
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Idarubicinol. The TPSA of 180.0 Ų indicates high polarity, suggesting Idarubicinol may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Idarubicinol has 6 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Idarubicinol?
The CAS number of Idarubicinol is 92552-42-6.
What is the molecular formula of Idarubicinol?
The molecular formula of Idarubicinol is C26H29NO9.
What is the molecular weight of Idarubicinol?
The molecular weight of Idarubicinol is 499.18 g/mol.
Where can I buy Idarubicinol?
You can request a quote for Idarubicinol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Idarubicinol?
Yes, KEHONG BIO provides custom synthesis services for Idarubicinol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.