Adriamycin benzoate
TL;DR: Adriamycin benzoate (CAS 59367-03-2) is a chemical compound with molecular formula C34H33NO12 and molecular weight 647.20 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] benzoate
Also Known As: Adriamycin benzoate, Adriamycin 14-benzoate, N-formyl-r-phenylalanine, [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] benzoate, (8S-cis)-10-((3-Amino-2,3,6-trideoxy-alpha-L-lyxo-hexopyranosyl)oxy)-8-((benzoyloxy)acetyl)-7,8,9,10-tetrahydro-6,8,11-trihydroxy-1-methoxy-5,12-naphthacenedione
| Molecular Formula | C34H33NO12 |
|---|---|
| Molecular Weight | 647.20 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 212.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 13 |
| Rotatable Bonds | 8 |
| Exact Mass | 647.20026 |
| Heavy Atoms | 47 |
| Complexity | 1210.0 |
Chemical Identifiers
| CAS Number | 59367-03-2 |
|---|---|
| SMILES | CC1C(C(CC(O1)OC2CC(CC3=C2C(=C4C(=C3O)C(=O)C5=C(C4=O)C(=CC=C5)OC)O)(C(=O)COC(=O)C6=CC=CC=C6)O)N)O |
| InChIKey | PCSBRUOROMKFCU-UHFFFAOYSA-N |
Product Overview
Adriamycin benzoate (CAS 59367-03-2), with molecular formula C34H33NO12 and molecular weight 647.20 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] benzoate.
Chemical Property Profile of Adriamycin benzoate
Property Insights of Adriamycin benzoate
The XLogP value of 3.0 indicates that Adriamycin benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 212.0 Ų indicates high polarity, suggesting Adriamycin benzoate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Adriamycin benzoate has 5 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 Adriamycin benzoate?
The CAS number of Adriamycin benzoate is 59367-03-2.
What is the molecular formula of Adriamycin benzoate?
The molecular formula of Adriamycin benzoate is C34H33NO12.
What is the molecular weight of Adriamycin benzoate?
The molecular weight of Adriamycin benzoate is 647.20 g/mol.
Where can I buy Adriamycin benzoate?
You can request a quote for Adriamycin benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Adriamycin benzoate?
Yes, KEHONG BIO provides custom synthesis services for Adriamycin benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.