4-Demethoxy-10,10-dimethyldaunomycin
TL;DR: 4-Demethoxy-10,10-dimethyldaunomycin (CAS 91003-74-6) is a chemical compound with molecular formula C28H31NO9 and molecular weight 525.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
9-acetyl-7-(4-amino-5-hydroxy-6-methyloxan-2-yl)oxy-6,9,11-trihydroxy-10,10-dimethyl-7,8-dihydrotetracene-5,12-dione
Also Known As: 4-Demethoxy-10,10-dimethyldaunomycin, 4-Demethoxy-10,10-dimethyldaunorubicin, 4'-decyloxyphenyl-4-methoxycarbonyloxy benzoate, 9-acetyl-7-(4-amino-5-hydroxy-6-methyloxan-2-yl)oxy-6,9,11-trihydroxy-10,10-dimethyl-7,8-dihydrotetracene-5,12-dione, 3-acetyl-3,5,12-trihydroxy-4,4-dimethyl-6,11-dioxo-1,2,3,4,6,11-hexahydrotetracen-1-yl 3-amino-2,3,6-trideoxyhexopyranoside
| Molecular Formula | C28H31NO9 |
|---|---|
| Molecular Weight | 525.20 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 177.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 3 |
| Exact Mass | 525.1999 |
| Heavy Atoms | 38 |
| Complexity | 985.0 |
Chemical Identifiers
| CAS Number | 91003-74-6 |
|---|---|
| SMILES | CC1C(C(CC(O1)OC2CC(C(C3=C2C(=C4C(=C3O)C(=O)C5=CC=CC=C5C4=O)O)(C)C)(C(=O)C)O)N)O |
| InChIKey | OTPATBBARNDVSI-UHFFFAOYSA-N |
Product Overview
4-Demethoxy-10,10-dimethyldaunomycin (CAS 91003-74-6), with molecular formula C28H31NO9 and molecular weight 525.20 g/mol. IUPAC: 9-acetyl-7-(4-amino-5-hydroxy-6-methyloxan-2-yl)oxy-6,9,11-trihydroxy-10,10-dimethyl-7,8-dihydrotetracene-5,12-dione.
Chemical Property Profile of 4-Demethoxy-10,10-dimethyldaunomycin
Property Insights of 4-Demethoxy-10,10-dimethyldaunomycin
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Demethoxy-10,10-dimethyldaunomycin. The TPSA of 177.0 Ų indicates high polarity, suggesting 4-Demethoxy-10,10-dimethyldaunomycin may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 4-Demethoxy-10,10-dimethyldaunomycin 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 4-Demethoxy-10,10-dimethyldaunomycin?
The CAS number of 4-Demethoxy-10,10-dimethyldaunomycin is 91003-74-6.
What is the molecular formula of 4-Demethoxy-10,10-dimethyldaunomycin?
The molecular formula of 4-Demethoxy-10,10-dimethyldaunomycin is C28H31NO9.
What is the molecular weight of 4-Demethoxy-10,10-dimethyldaunomycin?
The molecular weight of 4-Demethoxy-10,10-dimethyldaunomycin is 525.20 g/mol.
Where can I buy 4-Demethoxy-10,10-dimethyldaunomycin?
You can request a quote for 4-Demethoxy-10,10-dimethyldaunomycin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Demethoxy-10,10-dimethyldaunomycin?
Yes, KEHONG BIO provides custom synthesis services for 4-Demethoxy-10,10-dimethyldaunomycin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.