Octanoic acid der.
TL;DR: Octanoic acid der. (CAS 80041-11-8) is a chemical compound with molecular formula C35H45N3O11 and molecular weight 683.31 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(E)-[1-[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-hydroxyethylidene]amino]octanamide
Also Known As: Octanoic acid der., Adriamycin octanoylhydrazone, N'-((1E)-1-{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-hydroxyethylidene)octanohydrazide, N-[(E)-[1-[4-(4-amino-5-hydroxy-6-methyl-tetrahydropyran-2-yl)oxy-2,5,12-trihydroxy-7-methoxy-6,11-dioxo-3,4-dihydro-1H-tetracen-2-yl]-2-hydroxy-ethylidene]amino]octanamide, N-[[1-[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-hydroxyethylidene]amino]octanamide
| Molecular Formula | C35H45N3O11 |
|---|---|
| Molecular Weight | 683.31 g/mol |
| LogP | 2.2649 |
| Topological Polar Surface Area | 230.46 Ų |
| Hydrogen Bond Donors | 7 |
| Hydrogen Bond Acceptors | 13 |
| Rotatable Bonds | 12 |
| Exact Mass | 683.3054 |
| Heavy Atoms | 49 |
| Complexity | 1631.0801 |
Chemical Identifiers
| CAS Number | 80041-11-8 |
|---|---|
| SMILES | CCCCCCCC(=O)N/N=C(\CO)/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 |
Product Overview
Octanoic acid der. (CAS 80041-11-8), with molecular formula C35H45N3O11 and molecular weight 683.31 g/mol. IUPAC: N-[(E)-[1-[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-hydroxyethylidene]amino]octanamide.
Chemical Property Profile of Octanoic acid der.
Property Insights of Octanoic acid der.
The XLogP value of 2.2649 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Octanoic acid der.. The TPSA of 230.46 Ų indicates high polarity, suggesting Octanoic acid der. may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Octanoic acid der. has 7 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 Octanoic acid der.?
The CAS number of Octanoic acid der. is 80041-11-8.
What is the molecular formula of Octanoic acid der.?
The molecular formula of Octanoic acid der. is C35H45N3O11.
What is the molecular weight of Octanoic acid der.?
The molecular weight of Octanoic acid der. is 683.31 g/mol.
Where can I buy Octanoic acid der.?
You can request a quote for Octanoic acid der. directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Octanoic acid der.?
Yes, KEHONG BIO provides custom synthesis services for Octanoic acid der. and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.