5-Aminodaunorubicin
TL;DR: 5-Aminodaunorubicin (CAS 123618-01-9) is a chemical compound with molecular formula C27H32N2O8 and molecular weight 512.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
9-acetyl-12-amino-7-(4-amino-5-hydroxy-6-methyloxan-2-yl)oxy-6,9-dihydroxy-4-methoxy-7,8,10,12-tetrahydrotetracen-5-one
Also Known As: 5-Aminodaunorubicin, DR 22, 1-(11-Amino-4-((3-amino-2,3,6-trideoxy-alpha-L-lyxo-hexopyranosyl)oxy)-1,2,3,4-tetrahydro-2,5,6,12-tetrahydroxy-7-methoxy-2-naphthacenyl)ethanone (2S-cis)-, 3-Acetyl-6-amino-3,12-dihydroxy-10-methoxy-11-oxo-1,2,3,4,6,11-hexahydrotetracen-1-yl 3-amino-2,3,6-trideoxyhexopyranoside, 9-acetyl-12-amino-7-(4-amino-5-hydroxy-6-methyloxan-2-yl)oxy-6,9-dihydroxy-4-methoxy-7,8,10,12-tetrahydrotetracen-5-one
| Molecular Formula | C27H32N2O8 |
|---|---|
| Molecular Weight | 512.22 g/mol |
| LogP | 1.1404 |
| Topological Polar Surface Area | 174.56 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 4 |
| Exact Mass | 512.2159 |
| Heavy Atoms | 37 |
| Complexity | 1267.5378 |
Chemical Identifiers
| CAS Number | 123618-01-9 |
|---|---|
| SMILES | CC1C(C(CC(O1)OC2CC(CC3=CC4=C(C(=C23)O)C(=O)C5=C(C4N)C=CC=C5OC)(C(=O)C)O)N)O |
Product Overview
5-Aminodaunorubicin (CAS 123618-01-9), with molecular formula C27H32N2O8 and molecular weight 512.22 g/mol. IUPAC: 9-acetyl-12-amino-7-(4-amino-5-hydroxy-6-methyloxan-2-yl)oxy-6,9-dihydroxy-4-methoxy-7,8,10,12-tetrahydrotetracen-5-one.
Chemical Property Profile of 5-Aminodaunorubicin
Property Insights of 5-Aminodaunorubicin
The XLogP value of 1.1404 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Aminodaunorubicin. The TPSA of 174.56 Ų indicates high polarity, suggesting 5-Aminodaunorubicin may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 5-Aminodaunorubicin 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 5-Aminodaunorubicin?
The CAS number of 5-Aminodaunorubicin is 123618-01-9.
What is the molecular formula of 5-Aminodaunorubicin?
The molecular formula of 5-Aminodaunorubicin is C27H32N2O8.
What is the molecular weight of 5-Aminodaunorubicin?
The molecular weight of 5-Aminodaunorubicin is 512.22 g/mol.
Where can I buy 5-Aminodaunorubicin?
You can request a quote for 5-Aminodaunorubicin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Aminodaunorubicin?
Yes, KEHONG BIO provides custom synthesis services for 5-Aminodaunorubicin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.