Morpholinodoxorubicin
TL;DR: Morpholinodoxorubicin (CAS 80790-68-7) is a chemical compound with molecular formula C31H35NO12 and molecular weight 613.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(7S,9S)-6,9,11-trihydroxy-9-(2-hydroxyacetyl)-7-[(2R,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: Morpholinyl doxorubicin, Morpholinodoxorubicin, morpholino-ADR, morpholino-adriamycin, morpholinyldoxorubicin
| Molecular Formula | C31H35NO12 |
|---|---|
| Molecular Weight | 613.22 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 193.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 13 |
| Rotatable Bonds | 6 |
| Exact Mass | 613.21594 |
| Heavy Atoms | 44 |
| Complexity | 1100.0 |
Chemical Identifiers
| CAS Number | 80790-68-7 |
|---|---|
| SMILES | C[C@H]1[C@H]([C@H](C[C@@H](O1)O[C@H]2C[C@@](CC3=C2C(=C4C(=C3O)C(=O)C5=C(C4=O)C(=CC=C5)OC)O)(C(=O)CO)O)N6CCOCC6)O |
| InChIKey | SXCIMUIAZXOVIR-PUCKCBAPSA-N |
Product Overview
Morpholinodoxorubicin (CAS 80790-68-7), with molecular formula C31H35NO12 and molecular weight 613.22 g/mol. IUPAC: (7S,9S)-6,9,11-trihydroxy-9-(2-hydroxyacetyl)-7-[(2R,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 Morpholinodoxorubicin
Property Insights of Morpholinodoxorubicin
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Morpholinodoxorubicin. The TPSA of 193.0 Ų indicates high polarity, suggesting Morpholinodoxorubicin may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Morpholinodoxorubicin 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 Morpholinodoxorubicin?
The CAS number of Morpholinodoxorubicin is 80790-68-7.
What is the molecular formula of Morpholinodoxorubicin?
The molecular formula of Morpholinodoxorubicin is C31H35NO12.
What is the molecular weight of Morpholinodoxorubicin?
The molecular weight of Morpholinodoxorubicin is 613.22 g/mol.
Where can I buy Morpholinodoxorubicin?
You can request a quote for Morpholinodoxorubicin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Morpholinodoxorubicin?
Yes, KEHONG BIO provides custom synthesis services for Morpholinodoxorubicin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.