4-Demethoxy-6-deoxy-6-aminodaunomycin
TL;DR: 4-Demethoxy-6-deoxy-6-aminodaunomycin (CAS 115281-40-8) is a chemical compound with molecular formula C26H28N2O8 and molecular weight 496.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(7S,9S)-9-acetyl-6-amino-7-[(2R,4R,5R,6S)-4-amino-5-hydroxy-6-methyloxan-2-yl]oxy-9,11-dihydroxy-8,10-dihydro-7H-tetracene-5,12-dione
Also Known As: 4-Demethoxy-6-deoxy-6-aminodaunomycin, (7S,9S)-9-acetyl-6-amino-7-[(2R,4R,5R,6S)-4-amino-5-hydroxy-6-methyloxan-2-yl]oxy-9,11-dihydroxy-8,10-dihydro-7H-tetracene-5,12-dione, (1S,3S)-3-acetyl-12-amino-3,5-dihydroxy-6,11-dioxo-1,2,3,4,6,11-hexahydrotetracen-1-yl 3-amino-2,3,6-trideoxy-alpha-L-ribo-hexopyranoside, 3-Acetyl-12-amino-3,5-dihydroxy-6,11-dioxo-1,2,3,4,6,11-hexahydrotetracen-1-yl 3-amino-2,3,6-trideoxyhexopyranoside
| Molecular Formula | C26H28N2O8 |
|---|---|
| Molecular Weight | 496.18 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 182.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 3 |
| Exact Mass | 496.18457 |
| Heavy Atoms | 36 |
| Complexity | 914.0 |
Chemical Identifiers
| CAS Number | 115281-40-8 |
|---|---|
| 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)N)(C(=O)C)O)N)O |
| InChIKey | GJMMSZSSMFLOCK-SRMZJCOTSA-N |
Product Overview
4-Demethoxy-6-deoxy-6-aminodaunomycin (CAS 115281-40-8), with molecular formula C26H28N2O8 and molecular weight 496.18 g/mol. IUPAC: (7S,9S)-9-acetyl-6-amino-7-[(2R,4R,5R,6S)-4-amino-5-hydroxy-6-methyloxan-2-yl]oxy-9,11-dihydroxy-8,10-dihydro-7H-tetracene-5,12-dione.
Chemical Property Profile of 4-Demethoxy-6-deoxy-6-aminodaunomycin
Property Insights of 4-Demethoxy-6-deoxy-6-aminodaunomycin
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Demethoxy-6-deoxy-6-aminodaunomycin. The TPSA of 182.0 Ų indicates high polarity, suggesting 4-Demethoxy-6-deoxy-6-aminodaunomycin may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 4-Demethoxy-6-deoxy-6-aminodaunomycin has 5 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4-Demethoxy-6-deoxy-6-aminodaunomycin?
The CAS number of 4-Demethoxy-6-deoxy-6-aminodaunomycin is 115281-40-8.
What is the molecular formula of 4-Demethoxy-6-deoxy-6-aminodaunomycin?
The molecular formula of 4-Demethoxy-6-deoxy-6-aminodaunomycin is C26H28N2O8.
What is the molecular weight of 4-Demethoxy-6-deoxy-6-aminodaunomycin?
The molecular weight of 4-Demethoxy-6-deoxy-6-aminodaunomycin is 496.18 g/mol.
Where can I buy 4-Demethoxy-6-deoxy-6-aminodaunomycin?
You can request a quote for 4-Demethoxy-6-deoxy-6-aminodaunomycin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Demethoxy-6-deoxy-6-aminodaunomycin?
Yes, KEHONG BIO provides custom synthesis services for 4-Demethoxy-6-deoxy-6-aminodaunomycin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.