Morpholinodoxorubicin hydrochloride
TL;DR: Morpholinodoxorubicin hydrochloride (CAS 89196-04-3) is a chemical compound with molecular formula C31H36ClNO12 and molecular weight 649.19 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;hydrochloride
Also Known As: Morpholinodoxorubicin, Morpholinodoxorubicin hydrochloride, 3'-Deamino-3'-(4-morpholinyl)oxorubicin, 5,12-Naphthacenedione, 7,8,9,10-tetrahydro-8-(hydroxyacetyl)-1-methoxy-10-((2,3,6-trideoxy-3-(4-morpholinyl)-alpha-lyxo-hexopyranosyl)oxy)-6,8,11-trihydroxy-, hydrochloride, (8S-cis)-, (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;hydrochloride
| Molecular Formula | C31H36ClNO12 |
|---|---|
| Molecular Weight | 649.19 g/mol |
| LogP | 0.7966 |
| Topological Polar Surface Area | 193.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 13 |
| Rotatable Bonds | 6 |
| Exact Mass | 649.1926 |
| Heavy Atoms | 45 |
| Complexity | 1100.0 |
Chemical Identifiers
| CAS Number | 89196-04-3 |
|---|---|
| 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.Cl |
| InChIKey | INAUWOVKEZHHDM-PEDBPRJASA-N |
Product Overview
Morpholinodoxorubicin hydrochloride (CAS 89196-04-3), with molecular formula C31H36ClNO12 and molecular weight 649.19 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;hydrochloride.
Chemical Property Profile of Morpholinodoxorubicin hydrochloride
Property Insights of Morpholinodoxorubicin hydrochloride
The XLogP value of 0.7966 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Morpholinodoxorubicin hydrochloride. The TPSA of 193.0 Ų indicates high polarity, suggesting Morpholinodoxorubicin hydrochloride may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Morpholinodoxorubicin hydrochloride has 6 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 hydrochloride?
The CAS number of Morpholinodoxorubicin hydrochloride is 89196-04-3.
What is the molecular formula of Morpholinodoxorubicin hydrochloride?
The molecular formula of Morpholinodoxorubicin hydrochloride is C31H36ClNO12.
What is the molecular weight of Morpholinodoxorubicin hydrochloride?
The molecular weight of Morpholinodoxorubicin hydrochloride is 649.19 g/mol.
Where can I buy Morpholinodoxorubicin hydrochloride?
You can request a quote for Morpholinodoxorubicin hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Morpholinodoxorubicin hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for Morpholinodoxorubicin hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.