Adriamycin-14-octanoate
TL;DR: Adriamycin-14-octanoate (CAS 42077-25-8) is a chemical compound with molecular formula C35H43NO12 and molecular weight 669.28 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] octanoate
Also Known As: Adriamycin-14-octanoate, Adriamycin 14-octanoate, hydrochloride, 2-{4-[(3-amino-2,3,6-trideoxyhexopyranosyl)oxy]-2,5,12-trihydroxy-7-methoxy-6,11-dioxo-1,2,3,4,6,11-hexahydrotetracen-2-yl}-2-oxoethyl octanoate, 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, (2S-cis)-, [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
| Molecular Formula | C35H43NO12 |
|---|---|
| Molecular Weight | 669.28 g/mol |
| LogP | 4.3 |
| Topological Polar Surface Area | 212.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 13 |
| Rotatable Bonds | 13 |
| Exact Mass | 669.2785 |
| Heavy Atoms | 48 |
| Complexity | 1180.0 |
Chemical Identifiers
| CAS Number | 42077-25-8 |
|---|---|
| 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 |
| InChIKey | MFUJRSZQSMPGLX-UHFFFAOYSA-N |
Product Overview
Adriamycin-14-octanoate (CAS 42077-25-8), with molecular formula C35H43NO12 and molecular weight 669.28 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] octanoate.
Chemical Property Profile of Adriamycin-14-octanoate
Property Insights of Adriamycin-14-octanoate
The XLogP value of 4.3 indicates that Adriamycin-14-octanoate 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 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Adriamycin-14-octanoate 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-14-octanoate?
The CAS number of Adriamycin-14-octanoate is 42077-25-8.
What is the molecular formula of Adriamycin-14-octanoate?
The molecular formula of Adriamycin-14-octanoate is C35H43NO12.
What is the molecular weight of Adriamycin-14-octanoate?
The molecular weight of Adriamycin-14-octanoate is 669.28 g/mol.
Where can I buy Adriamycin-14-octanoate?
You can request a quote for Adriamycin-14-octanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Adriamycin-14-octanoate?
Yes, KEHONG BIO provides custom synthesis services for Adriamycin-14-octanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.