14-Morpholinodaunorubicin
TL;DR: 14-Morpholinodaunorubicin (CAS 76549-16-1) is a chemical compound with molecular formula C31H36N2O11 and molecular weight 612.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-[(2S,5S)-4-amino-5-hydroxy-6-methyloxan-2-yl]oxy-6,9,11-trihydroxy-4-methoxy-9-(2-morpholin-4-ylacetyl)-8,10-dihydro-7H-tetracene-5,12-dione
Also Known As: 14-Morpholinodaunorubicin, 5,12-Naphthacenedione, 7,8,9,10-tetrahydro-10-((3-amino-2,3,6-trideoxy-alpha-L-lyxo-hexopyranosyl)oxy)-1-methoxy-8-(4-morpholinylacetyl)-6,8,11-trihydroxy-, (8S-cis)-, 3,5,12-trihydroxy-10-methoxy-3-(morpholin-4-ylacetyl)-6,11-dioxo-1,2,3,4,6,11-hexahydrotetracen-1-yl 3-amino-2,3,6-trideoxy-, A-d-glycero-hexopyranoside, 3,5,12-Trihydroxy-10-methoxy-3-[(morpholin-4-yl)acetyl]-6,11-dioxo-1,2,3,4,6,11-hexahydrotetracen-1-yl 3-amino-2,3,6-trideoxy-alpha-D-glycero-hexopyranoside
| Molecular Formula | C31H36N2O11 |
|---|---|
| Molecular Weight | 612.23 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 198.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 13 |
| Rotatable Bonds | 6 |
| Exact Mass | 612.23193 |
| Heavy Atoms | 44 |
| Complexity | 1100.0 |
Chemical Identifiers
| CAS Number | 76549-16-1 |
|---|---|
| SMILES | CC1[C@H](C(C[C@H](O1)OC2CC(CC3=C2C(=C4C(=C3O)C(=O)C5=C(C4=O)C(=CC=C5)OC)O)(C(=O)CN6CCOCC6)O)N)O |
| InChIKey | JQWTYSBYFQTQGG-MOZYLAAESA-N |
Product Overview
14-Morpholinodaunorubicin (CAS 76549-16-1), with molecular formula C31H36N2O11 and molecular weight 612.23 g/mol. IUPAC: 7-[(2S,5S)-4-amino-5-hydroxy-6-methyloxan-2-yl]oxy-6,9,11-trihydroxy-4-methoxy-9-(2-morpholin-4-ylacetyl)-8,10-dihydro-7H-tetracene-5,12-dione.
Chemical Property Profile of 14-Morpholinodaunorubicin
Property Insights of 14-Morpholinodaunorubicin
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 14-Morpholinodaunorubicin. The TPSA of 198.0 Ų indicates high polarity, suggesting 14-Morpholinodaunorubicin may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 14-Morpholinodaunorubicin has 5 hydrogen bond donor(s) and 13 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 14-Morpholinodaunorubicin?
The CAS number of 14-Morpholinodaunorubicin is 76549-16-1.
What is the molecular formula of 14-Morpholinodaunorubicin?
The molecular formula of 14-Morpholinodaunorubicin is C31H36N2O11.
What is the molecular weight of 14-Morpholinodaunorubicin?
The molecular weight of 14-Morpholinodaunorubicin is 612.23 g/mol.
Where can I buy 14-Morpholinodaunorubicin?
You can request a quote for 14-Morpholinodaunorubicin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 14-Morpholinodaunorubicin?
Yes, KEHONG BIO provides custom synthesis services for 14-Morpholinodaunorubicin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.