Detorubicin
TL;DR: Detorubicin (CAS 64291-45-8) is a chemical compound with molecular formula C33H39NO14 and molecular weight 673.24 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-[4-(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-oxoethyl] 2,2-diethoxyacetate
Also Known As: Detorubicin, detrorubicin, Detorubicin HCl, Detorubicin [INN], Detorubicin hydrochloride
| Molecular Formula | C33H39NO14 |
|---|---|
| Molecular Weight | 673.24 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 231.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 15 |
| Rotatable Bonds | 12 |
| Exact Mass | 673.23706 |
| Heavy Atoms | 48 |
| Complexity | 1190.0 |
Chemical Identifiers
| CAS Number | 64291-45-8 |
|---|---|
| SMILES | CCOC(C(=O)OCC(=O)C1(CC(C2=C(C1)C(=C3C(=C2O)C(=O)C4=C(C3=O)C=CC=C4OC)O)OC5CC(C(C(O5)C)O)N)O)OCC |
| InChIKey | XZSRRNFBEIOBDA-UHFFFAOYSA-N |
Product Overview
Detorubicin (CAS 64291-45-8), with molecular formula C33H39NO14 and molecular weight 673.24 g/mol. IUPAC: [2-[4-(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-oxoethyl] 2,2-diethoxyacetate.
Chemical Property Profile of Detorubicin
Property Insights of Detorubicin
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Detorubicin. The TPSA of 231.0 Ų indicates high polarity, suggesting Detorubicin may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Detorubicin has 5 hydrogen bond donor(s) and 15 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Detorubicin?
The CAS number of Detorubicin is 64291-45-8.
What is the molecular formula of Detorubicin?
The molecular formula of Detorubicin is C33H39NO14.
What is the molecular weight of Detorubicin?
The molecular weight of Detorubicin is 673.24 g/mol.
Where can I buy Detorubicin?
You can request a quote for Detorubicin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Detorubicin?
Yes, KEHONG BIO provides custom synthesis services for Detorubicin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.