3'-(4-Morpholinyl)-3'-deaminodaunorubicin
TL;DR: 3'-(4-Morpholinyl)-3'-deaminodaunorubicin (CAS 79867-78-0) is a chemical compound with molecular formula C31H35NO11 and molecular weight 597.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
9-acetyl-6,9,11-trihydroxy-7-[(2R,4S,5R)-5-hydroxy-6-methyl-4-morpholin-4-yloxan-2-yl]oxy-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione
Also Known As: Morpholinodaunomycin, 3'-(4-Morpholinyl)-3'-deaminodaunorubicin, 3'-deamino-3'-morpholinodaunoribicin, 9-acetyl-6,9,11-trihydroxy-7-[(2R,4S,5R)-5-hydroxy-6-methyl-4-morpholin-4-yloxan-2-yl]oxy-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione, 5,12-Naphthacenedione, 7,8,9,10-tetrahydro-8-acetyl-1-methoxy-10-((2,3,6-trideoxy-3-(4-morpholinyl)-alpha-L-lyxo-hexopyranosyl)oxy)-6,8,11-trihydroxy-, (8S-cis)-
| Molecular Formula | C31H35NO11 |
|---|---|
| Molecular Weight | 597.22 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 172.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 5 |
| Exact Mass | 597.221 |
| Heavy Atoms | 43 |
| Complexity | 1080.0 |
Chemical Identifiers
| CAS Number | 79867-78-0 |
|---|---|
| SMILES | CC1[C@@H]([C@H](C[C@@H](O1)OC2CC(CC3=C2C(=C4C(=C3O)C(=O)C5=C(C4=O)C(=CC=C5)OC)O)(C(=O)C)O)N6CCOCC6)O |
| InChIKey | OYIWRKOSDGPKFD-NMOJSDROSA-N |
Product Overview
3'-(4-Morpholinyl)-3'-deaminodaunorubicin (CAS 79867-78-0), with molecular formula C31H35NO11 and molecular weight 597.22 g/mol. IUPAC: 9-acetyl-6,9,11-trihydroxy-7-[(2R,4S,5R)-5-hydroxy-6-methyl-4-morpholin-4-yloxan-2-yl]oxy-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione.
Chemical Property Profile of 3'-(4-Morpholinyl)-3'-deaminodaunorubicin
Property Insights of 3'-(4-Morpholinyl)-3'-deaminodaunorubicin
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3'-(4-Morpholinyl)-3'-deaminodaunorubicin. The TPSA of 172.0 Ų indicates high polarity, suggesting 3'-(4-Morpholinyl)-3'-deaminodaunorubicin may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 3'-(4-Morpholinyl)-3'-deaminodaunorubicin has 4 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 3'-(4-Morpholinyl)-3'-deaminodaunorubicin?
The CAS number of 3'-(4-Morpholinyl)-3'-deaminodaunorubicin is 79867-78-0.
What is the molecular formula of 3'-(4-Morpholinyl)-3'-deaminodaunorubicin?
The molecular formula of 3'-(4-Morpholinyl)-3'-deaminodaunorubicin is C31H35NO11.
What is the molecular weight of 3'-(4-Morpholinyl)-3'-deaminodaunorubicin?
The molecular weight of 3'-(4-Morpholinyl)-3'-deaminodaunorubicin is 597.22 g/mol.
Where can I buy 3'-(4-Morpholinyl)-3'-deaminodaunorubicin?
You can request a quote for 3'-(4-Morpholinyl)-3'-deaminodaunorubicin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3'-(4-Morpholinyl)-3'-deaminodaunorubicin?
Yes, KEHONG BIO provides custom synthesis services for 3'-(4-Morpholinyl)-3'-deaminodaunorubicin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.