4-O-Demethyl-11-deoxydoxorubicin
TL;DR: 4-O-Demethyl-11-deoxydoxorubicin (CAS 81382-05-0) is a chemical compound with molecular formula C26H27NO10 and molecular weight 513.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-(4-amino-5-hydroxy-6-methyloxan-2-yl)oxy-4,6,9-trihydroxy-9-(2-hydroxyacetyl)-8,10-dihydro-7H-tetracene-5,12-dione
Also Known As: 4-O-Demethyl-11-deoxydoxorubicin, 3,10,12-Trihydroxy-3-(hydroxyacetyl)-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]-7,8,9,10-tetrahydro-1,8,11-trihydroxy-8-(hydroxyacetyl)-, (8S,10S)-, 7-(4-amino-5-hydroxy-6-methyloxan-2-yl)oxy-4,6,9-trihydroxy-9-(2-hydroxyacetyl)-8,10-dihydro-7H-tetracene-5,12-dione
| Molecular Formula | C26H27NO10 |
|---|---|
| Molecular Weight | 513.16 g/mol |
| LogP | 0.7 |
| Topological Polar Surface Area | 197.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 4 |
| Exact Mass | 513.1635 |
| Heavy Atoms | 37 |
| Complexity | 929.0 |
Chemical Identifiers
| CAS Number | 81382-05-0 |
|---|---|
| SMILES | CC1C(C(CC(O1)OC2CC(CC3=CC4=C(C(=C23)O)C(=O)C5=C(C4=O)C=CC=C5O)(C(=O)CO)O)N)O |
| InChIKey | ROILTUODAPUWLG-UHFFFAOYSA-N |
Product Overview
4-O-Demethyl-11-deoxydoxorubicin (CAS 81382-05-0), with molecular formula C26H27NO10 and molecular weight 513.16 g/mol. IUPAC: 7-(4-amino-5-hydroxy-6-methyloxan-2-yl)oxy-4,6,9-trihydroxy-9-(2-hydroxyacetyl)-8,10-dihydro-7H-tetracene-5,12-dione.
Chemical Property Profile of 4-O-Demethyl-11-deoxydoxorubicin
Property Insights of 4-O-Demethyl-11-deoxydoxorubicin
The XLogP value of 0.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-O-Demethyl-11-deoxydoxorubicin. The TPSA of 197.0 Ų indicates high polarity, suggesting 4-O-Demethyl-11-deoxydoxorubicin may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 4-O-Demethyl-11-deoxydoxorubicin has 6 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-O-Demethyl-11-deoxydoxorubicin?
The CAS number of 4-O-Demethyl-11-deoxydoxorubicin is 81382-05-0.
What is the molecular formula of 4-O-Demethyl-11-deoxydoxorubicin?
The molecular formula of 4-O-Demethyl-11-deoxydoxorubicin is C26H27NO10.
What is the molecular weight of 4-O-Demethyl-11-deoxydoxorubicin?
The molecular weight of 4-O-Demethyl-11-deoxydoxorubicin is 513.16 g/mol.
Where can I buy 4-O-Demethyl-11-deoxydoxorubicin?
You can request a quote for 4-O-Demethyl-11-deoxydoxorubicin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-O-Demethyl-11-deoxydoxorubicin?
Yes, KEHONG BIO provides custom synthesis services for 4-O-Demethyl-11-deoxydoxorubicin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.