Doxorubicin Impurity53
TL;DR: Doxorubicin Impurity53 (CAS 201278-93-5) is a chemical compound with molecular formula C54H54N2O21 and molecular weight 1066.32 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(7S,9S)-7-[(2R,4S,5S,6S)-4-[[2-[(2S,4S)-4-[(2R,4S,5S,6S)-4-amino-5-hydroxy-6-methyloxan-2-yl]oxy-2,5,12-trihydroxy-7-methoxy-6,11-dioxo-3,4-dihydro-1H-tetracen-2-yl]-2-oxoethylidene]amino]-5-hydroxy-6-methyloxan-2-yl]oxy-6,9,11-trihydroxy-9-(2-hydroxyacetyl)-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione
Also Known As: Doxorubicin Impurity53, Doxorubicin Impurity 19Q, Doxorubicin Dimer Impurity 23, (8S,10S)-10-(((2R,4S,5S,6S)-4-amino-5-hydroxy-6-methyltetrahydro-2H-pyran-2-yl)oxy)-6,8,11-trihydroxy-8-(2-(((2S,3S,4S,6R)-3-hydroxy-2-methyl-6-(((1S,3S)-3,5,12-trihydroxy-3-(2-hydroxyacetyl)-10-methoxy-6,11-dioxo-1,2,3,4,6,11-hexahydrotetracen-1-yl)oxy)tetrahydro-2H-pyran-4-yl)imino)acetyl)-1-methoxy-7,8,9,10-tetrahydrotetracene-5,12-dione
| Molecular Formula | C54H54N2O21 |
|---|---|
| Molecular Weight | 1066.32 g/mol |
| LogP | 1.136 |
| Topological Polar Surface Area | 378.25 Ų |
| Hydrogen Bond Donors | 10 |
| Hydrogen Bond Acceptors | 23 |
| Rotatable Bonds | 11 |
| Exact Mass | 1066.3219 |
| Heavy Atoms | 77 |
| Complexity | 3250.4978 |
Chemical Identifiers
| CAS Number | 201278-93-5 |
|---|---|
| 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)C=N[C@H]6C[C@@H](O[C@H]([C@H]6O)C)O[C@H]7C[C@@](CC8=C7C(=C9C(=C8O)C(=O)C1=C(C9=O)C(=CC=C1)OC)O)(C(=O)CO)O)O)N)O |
Product Overview
Doxorubicin Impurity53 (CAS 201278-93-5), with molecular formula C54H54N2O21 and molecular weight 1066.32 g/mol. IUPAC: (7S,9S)-7-[(2R,4S,5S,6S)-4-[[2-[(2S,4S)-4-[(2R,4S,5S,6S)-4-amino-5-hydroxy-6-methyloxan-2-yl]oxy-2,5,12-trihydroxy-7-methoxy-6,11-dioxo-3,4-dihydro-1H-tetracen-2-yl]-2-oxoethylidene]amino]-5-hydroxy-6-methyloxan-2-yl]oxy-6,9,11-trihydroxy-9-(2-hydroxyacetyl)-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione.
Chemical Property Profile of Doxorubicin Impurity53
Property Insights of Doxorubicin Impurity53
The XLogP value of 1.136 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Doxorubicin Impurity53. The TPSA of 378.25 Ų indicates high polarity, suggesting Doxorubicin Impurity53 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Doxorubicin Impurity53 has 10 hydrogen bond donor(s) and 23 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Doxorubicin Impurity53?
The CAS number of Doxorubicin Impurity53 is 201278-93-5.
What is the molecular formula of Doxorubicin Impurity53?
The molecular formula of Doxorubicin Impurity53 is C54H54N2O21.
What is the molecular weight of Doxorubicin Impurity53?
The molecular weight of Doxorubicin Impurity53 is 1066.32 g/mol.
Where can I buy Doxorubicin Impurity53?
You can request a quote for Doxorubicin Impurity53 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Doxorubicin Impurity53?
Yes, KEHONG BIO provides custom synthesis services for Doxorubicin Impurity53 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.