4-Demethoxy-4'-O-methyldoxorubicin
TL;DR: 4-Demethoxy-4'-O-methyldoxorubicin (CAS 87471-33-8) is a chemical compound with molecular formula C27H29NO10 and molecular weight 527.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-(4-amino-5-methoxy-6-methyloxan-2-yl)oxy-6,9,11-trihydroxy-9-(2-hydroxyacetyl)-8,10-dihydro-7H-tetracene-5,12-dione
Also Known As: 4-DM-4'-O-methyldx, 4-Demethoxy-4'-O-methyldoxorubicin, 7-(4-amino-5-methoxy-6-methyloxan-2-yl)oxy-6,9,11-trihydroxy-9-(2-hydroxyacetyl)-8,10-dihydro-7H-tetracene-5,12-dione, 5,12-Naphthacenedione, 7-((3-amino-2,3,6-trideoxy-4-O-methyl-alpha-D-lyxo-hexopyranosyl)oxy)-7,8,9,10-tetrahydro-6,9,11-trihydroxy-9-(hydroxyacetyl)-, (7S-cis)-, 3,5,12-Trihydroxy-3-(hydroxyacetyl)-6,11-dioxo-1,2,3,4,6,11-hexahydrotetracen-1-yl 3-amino-2,3,6-trideoxy-4-O-methylhexopyranoside
| Molecular Formula | C27H29NO10 |
|---|---|
| Molecular Weight | 527.18 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 186.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 5 |
| Exact Mass | 527.17914 |
| Heavy Atoms | 38 |
| Complexity | 945.0 |
Chemical Identifiers
| CAS Number | 87471-33-8 |
|---|---|
| SMILES | CC1C(C(CC(O1)OC2CC(CC3=C2C(=C4C(=C3O)C(=O)C5=CC=CC=C5C4=O)O)(C(=O)CO)O)N)OC |
| InChIKey | CQXYIKPCIOTYHD-UHFFFAOYSA-N |
Product Overview
4-Demethoxy-4'-O-methyldoxorubicin (CAS 87471-33-8), with molecular formula C27H29NO10 and molecular weight 527.18 g/mol. IUPAC: 7-(4-amino-5-methoxy-6-methyloxan-2-yl)oxy-6,9,11-trihydroxy-9-(2-hydroxyacetyl)-8,10-dihydro-7H-tetracene-5,12-dione.
Chemical Property Profile of 4-Demethoxy-4'-O-methyldoxorubicin
Property Insights of 4-Demethoxy-4'-O-methyldoxorubicin
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Demethoxy-4'-O-methyldoxorubicin. The TPSA of 186.0 Ų indicates high polarity, suggesting 4-Demethoxy-4'-O-methyldoxorubicin may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 4-Demethoxy-4'-O-methyldoxorubicin has 5 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 4-Demethoxy-4'-O-methyldoxorubicin?
The CAS number of 4-Demethoxy-4'-O-methyldoxorubicin is 87471-33-8.
What is the molecular formula of 4-Demethoxy-4'-O-methyldoxorubicin?
The molecular formula of 4-Demethoxy-4'-O-methyldoxorubicin is C27H29NO10.
What is the molecular weight of 4-Demethoxy-4'-O-methyldoxorubicin?
The molecular weight of 4-Demethoxy-4'-O-methyldoxorubicin is 527.18 g/mol.
Where can I buy 4-Demethoxy-4'-O-methyldoxorubicin?
You can request a quote for 4-Demethoxy-4'-O-methyldoxorubicin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Demethoxy-4'-O-methyldoxorubicin?
Yes, KEHONG BIO provides custom synthesis services for 4-Demethoxy-4'-O-methyldoxorubicin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.