4-Demethyl-6-O-methyldoxorubicin
TL;DR: 4-Demethyl-6-O-methyldoxorubicin (CAS 5434-07-1) is a chemical compound with molecular formula C27H29NO11 and molecular weight 543.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
10-(4-amino-5-hydroxy-6-methyloxan-2-yl)oxy-1,6,9-trihydroxy-9-(2-hydroxyacetyl)-11-methoxy-8,10-dihydro-7H-tetracene-5,12-dione
Also Known As: 4-Demethyl-6-O-methyldoxorubicin, SID:134225011, 2,5,10-trihydroxy-2-(hydroxyacetyl)-12-methoxy-6,11-dioxo-1,2,3,4,6,11-hexahydrotetracen-1-yl 3-amino-2,3,6-trideoxyhexopyranoside, 5,12-Naphthacenedione, 10-((3-amino-2,3,6-trideoxy-alpha-L-lyxo-hexopyranosyl)oxy)-8-(hydroxyacetyl)-7,8,9,10-tetrahydro-11-methoxy-1,6,8-trihydroxy-, 5,12-Naphthacenedione, 10-((3-amino-2,3,6-trideoxy-alpha-L-lyxo-hexopyranosyl)oxy)-7,8,9,10-tetrahydro-1,6,8-trihydroxy-8-(hydroxyacetyl)-11-methoxy-, (8S-cis)-
| Molecular Formula | C27H29NO11 |
|---|---|
| Molecular Weight | 543.17 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 206.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 5 |
| Exact Mass | 543.1741 |
| Heavy Atoms | 39 |
| Complexity | 977.0 |
Chemical Identifiers
| CAS Number | 5434-07-1 |
|---|---|
| SMILES | CC1C(C(CC(O1)OC2C3=C(CCC2(C(=O)CO)O)C(=C4C(=C3OC)C(=O)C5=C(C4=O)C=CC=C5O)O)N)O |
| InChIKey | LAJAGOZPADGZRF-UHFFFAOYSA-N |
Product Overview
4-Demethyl-6-O-methyldoxorubicin (CAS 5434-07-1), with molecular formula C27H29NO11 and molecular weight 543.17 g/mol. IUPAC: 10-(4-amino-5-hydroxy-6-methyloxan-2-yl)oxy-1,6,9-trihydroxy-9-(2-hydroxyacetyl)-11-methoxy-8,10-dihydro-7H-tetracene-5,12-dione.
Chemical Property Profile of 4-Demethyl-6-O-methyldoxorubicin
Property Insights of 4-Demethyl-6-O-methyldoxorubicin
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Demethyl-6-O-methyldoxorubicin. The TPSA of 206.0 Ų indicates high polarity, suggesting 4-Demethyl-6-O-methyldoxorubicin may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 4-Demethyl-6-O-methyldoxorubicin has 6 hydrogen bond donor(s) and 12 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4-Demethyl-6-O-methyldoxorubicin?
The CAS number of 4-Demethyl-6-O-methyldoxorubicin is 5434-07-1.
What is the molecular formula of 4-Demethyl-6-O-methyldoxorubicin?
The molecular formula of 4-Demethyl-6-O-methyldoxorubicin is C27H29NO11.
What is the molecular weight of 4-Demethyl-6-O-methyldoxorubicin?
The molecular weight of 4-Demethyl-6-O-methyldoxorubicin is 543.17 g/mol.
Where can I buy 4-Demethyl-6-O-methyldoxorubicin?
You can request a quote for 4-Demethyl-6-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-Demethyl-6-O-methyldoxorubicin?
Yes, KEHONG BIO provides custom synthesis services for 4-Demethyl-6-O-methyldoxorubicin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.