13-Deoxydaunorubicin
TL;DR: 13-Deoxydaunorubicin (CAS 79466-09-4) is a chemical compound with molecular formula C27H31NO9 and molecular weight 513.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(7S,9S)-7-[(2R,4S,5S,6S)-4-amino-5-hydroxy-6-methyloxan-2-yl]oxy-9-ethyl-6,9,11-trihydroxy-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione
Also Known As: Feudomycin A, 13-Deoxydaunorubicin, 13-Deoxodaunomycin, 13-Deoxydaunomycin, Daunorubicin Impurity G
| Molecular Formula | C27H31NO9 |
|---|---|
| Molecular Weight | 513.20 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 169.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 4 |
| Exact Mass | 513.1999 |
| Heavy Atoms | 37 |
| Complexity | 886.0 |
Chemical Identifiers
| CAS Number | 79466-09-4 |
|---|---|
| SMILES | CC[C@]1(C[C@@H](C2=C(C1)C(=C3C(=C2O)C(=O)C4=C(C3=O)C=CC=C4OC)O)O[C@H]5C[C@@H]([C@@H]([C@@H](O5)C)O)N)O |
| InChIKey | XAMIMZAWZUSOPA-JIGXQNLBSA-N |
Patent-Derived Application Labels
Derived from 11 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
13-Deoxydaunorubicin (CAS 79466-09-4), with molecular formula C27H31NO9 and molecular weight 513.20 g/mol. IUPAC: (7S,9S)-7-[(2R,4S,5S,6S)-4-amino-5-hydroxy-6-methyloxan-2-yl]oxy-9-ethyl-6,9,11-trihydroxy-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione.
Chemical Property Profile of 13-Deoxydaunorubicin
Property Insights of 13-Deoxydaunorubicin
The XLogP value of 3.0 indicates that 13-Deoxydaunorubicin is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 169.0 Ų indicates high polarity, suggesting 13-Deoxydaunorubicin may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 13-Deoxydaunorubicin 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 13-Deoxydaunorubicin?
The CAS number of 13-Deoxydaunorubicin is 79466-09-4.
What is the molecular formula of 13-Deoxydaunorubicin?
The molecular formula of 13-Deoxydaunorubicin is C27H31NO9.
What is the molecular weight of 13-Deoxydaunorubicin?
The molecular weight of 13-Deoxydaunorubicin is 513.20 g/mol.
Where can I buy 13-Deoxydaunorubicin?
You can request a quote for 13-Deoxydaunorubicin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 13-Deoxydaunorubicin?
Yes, KEHONG BIO provides custom synthesis services for 13-Deoxydaunorubicin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.