6-Methoxydaunomycin
TL;DR: 6-Methoxydaunomycin (CAS 78008-04-5) is a chemical compound with molecular formula C28H31NO10 and molecular weight 541.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(7S,9S)-9-acetyl-7-[(2R,4S,5S,6S)-4-amino-5-hydroxy-6-methyloxan-2-yl]oxy-9,11-dihydroxy-4,6-dimethoxy-8,10-dihydro-7H-tetracene-5,12-dione
Also Known As: 6-Methoxydaunomycin, 5,12-Naphthacenedione, 8-acetyl-10-((3-amino-2,3,6-trideoxy-alpha-L-lyxo-hexopyranosyl)oxy)-7,8,9,10-tetrahydro-6,8-dihydroxy-1,11-dimethoxy-, (8S-cis)-, (1S,3S)-3-Acetyl-3,5-dihydroxy-10,12-dimethoxy-6,11-dioxo-1,2,3,4,6,11-hexahydrotetracen-1-yl 3-amino-2,3,6-trideoxy-alpha-L-lyxo-hexopyranoside, (7S,9S)-9-acetyl-7-[(2R,4S,5S,6S)-4-amino-5-hydroxy-6-methyloxan-2-yl]oxy-9,11-dihydroxy-4,6-dimethoxy-8,10-dihydro-7H-tetracene-5,12-dione, (7S,9S)-9-Acetyl-7-[(3-amino-2,3,6-trideoxy-alpha-L-galactopyranosyl)oxy]-7,8,9,10-tetrahydro-4,6-dimethoxy-9,11-dihydroxy-5,12-naphthacenedione
| Molecular Formula | C28H31NO10 |
|---|---|
| Molecular Weight | 541.19 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 175.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 5 |
| Exact Mass | 541.1948 |
| Heavy Atoms | 39 |
| Complexity | 976.0 |
Chemical Identifiers
| CAS Number | 78008-04-5 |
|---|---|
| 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=C(C4=O)C(=CC=C5)OC)OC)(C(=O)C)O)N)O |
| InChIKey | UJDQUHYZDKYAAP-RWNSZTQCSA-N |
Product Overview
6-Methoxydaunomycin (CAS 78008-04-5), with molecular formula C28H31NO10 and molecular weight 541.19 g/mol. IUPAC: (7S,9S)-9-acetyl-7-[(2R,4S,5S,6S)-4-amino-5-hydroxy-6-methyloxan-2-yl]oxy-9,11-dihydroxy-4,6-dimethoxy-8,10-dihydro-7H-tetracene-5,12-dione.
Chemical Property Profile of 6-Methoxydaunomycin
Property Insights of 6-Methoxydaunomycin
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-Methoxydaunomycin. The TPSA of 175.0 Ų indicates high polarity, suggesting 6-Methoxydaunomycin may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 6-Methoxydaunomycin has 4 hydrogen bond donor(s) and 11 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 6-Methoxydaunomycin?
The CAS number of 6-Methoxydaunomycin is 78008-04-5.
What is the molecular formula of 6-Methoxydaunomycin?
The molecular formula of 6-Methoxydaunomycin is C28H31NO10.
What is the molecular weight of 6-Methoxydaunomycin?
The molecular weight of 6-Methoxydaunomycin is 541.19 g/mol.
Where can I buy 6-Methoxydaunomycin?
You can request a quote for 6-Methoxydaunomycin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-Methoxydaunomycin?
Yes, KEHONG BIO provides custom synthesis services for 6-Methoxydaunomycin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.