3'-deamino-3'-morpholino-13,13-dihydrodaunorubicin
TL;DR: 3'-deamino-3'-morpholino-13,13-dihydrodaunorubicin (CAS 79867-79-1) is a chemical compound with molecular formula C31H37NO11 and molecular weight 599.24 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6,9,11-trihydroxy-9-(1-hydroxyethyl)-7-[(4S,5S,6S)-5-hydroxy-6-methyl-4-morpholin-4-yloxan-2-yl]oxy-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione
Also Known As: 3'-deamino-3'-morpholino-13,13-dihydrodaunorubicin, 5,12-Naphthacenedione, 7,8,9,10-tetrahydro-6,8,11-trihydroxy-8-(1-hydroxyethyl)-1-methoxy-10-((2,3,6-trideoxy-3-(4-morpholinyl)-alpha-L-lyxo-hexopyranosyl)oxy)-, 3,5,12-Trihydroxy-3-(1-hydroxyethyl)-10-methoxy-6,11-dioxo-1,2,3,4,6,11-hexahydrotetracen-1-yl 2,3,6-trideoxy-3-(morpholin-4-yl)-L-lyxo-hexopyranoside, 3,5,12-Trihydroxy-3-(1-hydroxyethyl)-10-methoxy-6,11-dioxo-1,2,3,4,6,11-hexahydrotetracen-1-yl 2,3,6-trideoxy-3-morpholin-4-ylhexopyranoside, 5,12-Naphthacenedione,7,8,9,10-tetrahydro-6,8,11-trihydroxy-8-(1-hydroxyethyl)-1-methoxy-10-[[2,3,6-trideoxy-3-(4-morpholinyl)-a-L-lyxo-hexopyranosyl]oxy]-
| Molecular Formula | C31H37NO11 |
|---|---|
| Molecular Weight | 599.24 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 175.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 5 |
| Exact Mass | 599.23663 |
| Heavy Atoms | 43 |
| Complexity | 1040.0 |
Chemical Identifiers
| CAS Number | 79867-79-1 |
|---|---|
| SMILES | C[C@H]1[C@H]([C@H](CC(O1)OC2CC(CC3=C2C(=C4C(=C3O)C(=O)C5=C(C4=O)C(=CC=C5)OC)O)(C(C)O)O)N6CCOCC6)O |
| InChIKey | HHYBFIDBQVZLJL-OKFYJELSSA-N |
Product Overview
3'-deamino-3'-morpholino-13,13-dihydrodaunorubicin (CAS 79867-79-1), with molecular formula C31H37NO11 and molecular weight 599.24 g/mol. IUPAC: 6,9,11-trihydroxy-9-(1-hydroxyethyl)-7-[(4S,5S,6S)-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'-deamino-3'-morpholino-13,13-dihydrodaunorubicin
Property Insights of 3'-deamino-3'-morpholino-13,13-dihydrodaunorubicin
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3'-deamino-3'-morpholino-13,13-dihydrodaunorubicin. The TPSA of 175.0 Ų indicates high polarity, suggesting 3'-deamino-3'-morpholino-13,13-dihydrodaunorubicin may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 3'-deamino-3'-morpholino-13,13-dihydrodaunorubicin has 5 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'-deamino-3'-morpholino-13,13-dihydrodaunorubicin?
The CAS number of 3'-deamino-3'-morpholino-13,13-dihydrodaunorubicin is 79867-79-1.
What is the molecular formula of 3'-deamino-3'-morpholino-13,13-dihydrodaunorubicin?
The molecular formula of 3'-deamino-3'-morpholino-13,13-dihydrodaunorubicin is C31H37NO11.
What is the molecular weight of 3'-deamino-3'-morpholino-13,13-dihydrodaunorubicin?
The molecular weight of 3'-deamino-3'-morpholino-13,13-dihydrodaunorubicin is 599.24 g/mol.
Where can I buy 3'-deamino-3'-morpholino-13,13-dihydrodaunorubicin?
You can request a quote for 3'-deamino-3'-morpholino-13,13-dihydrodaunorubicin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3'-deamino-3'-morpholino-13,13-dihydrodaunorubicin?
Yes, KEHONG BIO provides custom synthesis services for 3'-deamino-3'-morpholino-13,13-dihydrodaunorubicin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.