11-Deoxydaunorubicin
TL;DR: 11-Deoxydaunorubicin (CAS 84325-15-5) is a chemical compound with molecular formula C27H29NO9 and molecular weight 511.18 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-9,11-dihydroxy-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione
Also Known As: 11-Deoxydaunorubicin, 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-methoxy-, (8S-cis)-, 3-Acetyl-3,5-dihydroxy-10-methoxy-6,11-dioxo-1,2,3,4,6,11-hexahydrotetracen-1-yl 3-amino-2,3,6-trideoxyhexopyranoside, 9-acetyl-7-(4-amino-5-hydroxy-6-methyloxan-2-yl)oxy-9,11-dihydroxy-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione
| Molecular Formula | C27H29NO9 |
|---|---|
| Molecular Weight | 511.18 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 166.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 4 |
| Exact Mass | 511.18423 |
| Heavy Atoms | 37 |
| Complexity | 928.0 |
Chemical Identifiers
| CAS Number | 84325-15-5 |
|---|---|
| SMILES | CC1C(C(CC(O1)OC2CC(CC3=C(C4=C(C=C23)C(=O)C5=C(C4=O)C=CC=C5OC)O)(C(=O)C)O)N)O |
| InChIKey | MELGDFBIPJROHZ-UHFFFAOYSA-N |
Product Overview
11-Deoxydaunorubicin (CAS 84325-15-5), with molecular formula C27H29NO9 and molecular weight 511.18 g/mol. IUPAC: 9-acetyl-7-(4-amino-5-hydroxy-6-methyloxan-2-yl)oxy-9,11-dihydroxy-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione.
Chemical Property Profile of 11-Deoxydaunorubicin
Property Insights of 11-Deoxydaunorubicin
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 11-Deoxydaunorubicin. The TPSA of 166.0 Ų indicates high polarity, suggesting 11-Deoxydaunorubicin may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 11-Deoxydaunorubicin has 4 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 11-Deoxydaunorubicin?
The CAS number of 11-Deoxydaunorubicin is 84325-15-5.
What is the molecular formula of 11-Deoxydaunorubicin?
The molecular formula of 11-Deoxydaunorubicin is C27H29NO9.
What is the molecular weight of 11-Deoxydaunorubicin?
The molecular weight of 11-Deoxydaunorubicin is 511.18 g/mol.
Where can I buy 11-Deoxydaunorubicin?
You can request a quote for 11-Deoxydaunorubicin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 11-Deoxydaunorubicin?
Yes, KEHONG BIO provides custom synthesis services for 11-Deoxydaunorubicin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.