IDARUBICIN
TL;DR: IDARUBICIN (CAS 60660-72-2) is a chemical compound with molecular formula C26H28ClNO9 and molecular weight 533.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(7S,9S)-9-acetyl-7-[(2S,4S,5S,6S)-4-amino-5-hydroxy-6-methyloxan-2-yl]oxy-6,9,11-trihydroxy-8,10-dihydro-7H-tetracene-5,12-dione;hydrochloride
Also Known As: 7-O-beta-Daunosaminyl-4-demethoxydaunomycinone hydrochloride, Daunomycinone, 7-O-beta-daunosaminyl-4-demethoxy-, hydrochloride, (7S,9S)-9-Acetyl-7-[(2S,4S,5S,6S)-4-amino-5-hydroxy-6-methyloxan-2-yl]oxy-6,9,11-trihydroxy-8,10-dihydro-7H-tetracene-5,12-dione;hydrochloride, (1S,3S)-3-Acetyl-3,5,12-trihydroxy-6,11-dioxo-1,2,3,4,6,11-hexahydrotetracen-1-yl 3-amino-2,3,6-trideoxy-beta-L-lyxo-hexopyranoside--hydrogen chloride (1/1), (7S,9S)-9-acetyl-7-[(2S,4S,5S,6S)-4-amino-5-hydroxy-6-methyloxan-2-yl]oxy-6,9,11-trihydroxy-8,10-dihydro-7H-tetracene-5,12-dione hydrochloride
| Molecular Formula | C26H28ClNO9 |
|---|---|
| Molecular Weight | 533.15 g/mol |
| LogP | 1.4421 |
| Topological Polar Surface Area | 176.61 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 3 |
| Exact Mass | 533.14526 |
| Heavy Atoms | 37 |
| Complexity | 1299.4379 |
Chemical Identifiers
| CAS Number | 60660-72-2 |
|---|---|
| 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=CC=CC=C5C4=O)O)(C(=O)C)O)N)O.Cl |
Product Overview
IDARUBICIN (CAS 60660-72-2), with molecular formula C26H28ClNO9 and molecular weight 533.15 g/mol. IUPAC: (7S,9S)-9-acetyl-7-[(2S,4S,5S,6S)-4-amino-5-hydroxy-6-methyloxan-2-yl]oxy-6,9,11-trihydroxy-8,10-dihydro-7H-tetracene-5,12-dione;hydrochloride.
Chemical Property Profile of IDARUBICIN
Property Insights of IDARUBICIN
The XLogP value of 1.4421 suggests moderate lipophilicity, balancing water solubility and membrane permeability for IDARUBICIN. The TPSA of 176.61 Ų indicates high polarity, suggesting IDARUBICIN may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, IDARUBICIN has 5 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 IDARUBICIN?
The CAS number of IDARUBICIN is 60660-72-2.
What is the molecular formula of IDARUBICIN?
The molecular formula of IDARUBICIN is C26H28ClNO9.
What is the molecular weight of IDARUBICIN?
The molecular weight of IDARUBICIN is 533.15 g/mol.
Where can I buy IDARUBICIN?
You can request a quote for IDARUBICIN directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for IDARUBICIN?
Yes, KEHONG BIO provides custom synthesis services for IDARUBICIN and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.