Adriamycin 14-octanoate, hydrochloride
TL;DR: Adriamycin 14-octanoate, hydrochloride (CAS 51898-39-6) is a chemical compound with molecular formula C35H44ClNO12 and molecular weight 705.2552 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[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] octanoate;hydrochloride
Also Known As: Doxorubicin 14-octanoate HCl, Adriamycin-14-octanoate hydrochloride, Adriamycin 14-octanoate, hydrochloride, Adriamycin, 14-octanoate, hydrochloride, Octanoic acid, 2-(4-((3-amino-2,3,6-trideoxy-alpha-L-lyxo-hexopyranosyl)oxy)-1,2,3,4,6,11-hexahydro-2,5,12-trihydroxy-7-methoxy-6,11-dioxo-2-naphthacenyl)-2-oxoethyl ester, hydrochloride, (2S-cis)
Technical Specifications
| Molecular Formula | C35H44ClNO12 |
| Molecular Weight | 705.2552 g/mol |
| XLogP | 3.33 |
| Topological Polar Surface Area (TPSA) | 212.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 13 |
| Rotatable Bonds | 13 |
| Exact Mass | 705.2552 Da |
| Heavy Atoms | 49 |
| Complexity | 1180.0 |
| SMILES | CCCCCCCC(=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.Cl |
| InChIKey | PCIHZBKBBKWVRO-UHFFFAOYSA-N |
Chemical Property Profile of Adriamycin 14-octanoate, hydrochloride
Property Insights of Adriamycin 14-octanoate, hydrochloride
The XLogP value of 3.33 indicates that Adriamycin 14-octanoate, hydrochloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 212.0 Ų indicates high polarity, suggesting Adriamycin 14-octanoate, hydrochloride may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Adriamycin 14-octanoate, hydrochloride has 6 hydrogen bond donor(s) and 13 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of Adriamycin 14-octanoate, hydrochloride?
The CAS number of Adriamycin 14-octanoate, hydrochloride is 51898-39-6.
What is the molecular formula of Adriamycin 14-octanoate, hydrochloride?
The molecular formula of Adriamycin 14-octanoate, hydrochloride is C35H44ClNO12.
What is the molecular weight of Adriamycin 14-octanoate, hydrochloride?
The molecular weight of Adriamycin 14-octanoate, hydrochloride is 705.2552 g/mol.
Where can I buy Adriamycin 14-octanoate, hydrochloride?
You can request a quote for Adriamycin 14-octanoate, hydrochloride directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Adriamycin 14-octanoate, hydrochloride?
Yes, CoreyChem provides custom synthesis services for Adriamycin 14-octanoate, hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.