Cyanomorpholino doxorubicin
TL;DR: Cyanomorpholino doxorubicin (CAS 89196-08-7) is a chemical compound with molecular formula C32H34N2O12 and molecular weight 638.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(2S,3S,4S,6R)-3-hydroxy-2-methyl-6-[[(1S,3S)-3,5,12-trihydroxy-3-(2-hydroxyacetyl)-10-methoxy-6,11-dioxo-2,4-dihydro-1H-tetracen-1-yl]oxy]oxan-4-yl]morpholine-3-carbonitrile
Also Known As: Mra-CN, Cyanomorpholinoadriamycin, cyanomorpholino doxorubicin, MRA CN, Cyanomorpholinodoxorubicin
| Molecular Formula | C32H34N2O12 |
|---|---|
| Molecular Weight | 638.21 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 216.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 14 |
| Rotatable Bonds | 6 |
| Exact Mass | 638.2112 |
| Heavy Atoms | 46 |
| Complexity | 1240.0 |
Chemical Identifiers
| CAS Number | 89196-08-7 |
|---|---|
| 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)N6CCOCC6C#N)O |
| InChIKey | YIMDLWDNDGKDTJ-QLKYHASDSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Cyanomorpholino doxorubicin (CAS 89196-08-7), with molecular formula C32H34N2O12 and molecular weight 638.21 g/mol. IUPAC: 4-[(2S,3S,4S,6R)-3-hydroxy-2-methyl-6-[[(1S,3S)-3,5,12-trihydroxy-3-(2-hydroxyacetyl)-10-methoxy-6,11-dioxo-2,4-dihydro-1H-tetracen-1-yl]oxy]oxan-4-yl]morpholine-3-carbonitrile.
Chemical Property Profile of Cyanomorpholino doxorubicin
Property Insights of Cyanomorpholino doxorubicin
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Cyanomorpholino doxorubicin. The TPSA of 216.0 Ų indicates high polarity, suggesting Cyanomorpholino doxorubicin may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Cyanomorpholino doxorubicin has 5 hydrogen bond donor(s) and 14 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Cyanomorpholino doxorubicin?
The CAS number of Cyanomorpholino doxorubicin is 89196-08-7.
What is the molecular formula of Cyanomorpholino doxorubicin?
The molecular formula of Cyanomorpholino doxorubicin is C32H34N2O12.
What is the molecular weight of Cyanomorpholino doxorubicin?
The molecular weight of Cyanomorpholino doxorubicin is 638.21 g/mol.
Where can I buy Cyanomorpholino doxorubicin?
You can request a quote for Cyanomorpholino doxorubicin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Cyanomorpholino doxorubicin?
Yes, KEHONG BIO provides custom synthesis services for Cyanomorpholino doxorubicin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.