N-(4-(Diethylamino)-1-methylbutyl)-9,10-dihydro-1-hydroxy-9,10-dioxo-2-anthracenecarboxamide monohydrochloride
TL;DR: N-(4-(Diethylamino)-1-methylbutyl)-9,10-dihydro-1-hydroxy-9,10-dioxo-2-anthracenecarboxamide monohydrochloride (CAS 81086-01-3) is a chemical compound with molecular formula C24H29ClN2O4 and molecular weight 444.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[5-(diethylamino)pentan-2-yl]-1-hydroxy-9,10-dioxoanthracene-2-carboxamide;hydrochloride
Also Known As: N-(4-(Diethylamino)-1-methylbutyl)-9,10-dihydro-1-hydroxy-9,10-dioxo-2-anthracenecarboxamide monohydrochloride, N-[5-(diethylamino)pentan-2-yl]-1-hydroxy-9,10-dioxoanthrace, 2-Anthracenecarboxamide, N-(4-(diethylamino)-1-methylbutyl)-9,10-dihydro-1-hydroxy-9,10-dioxo-, monohydrochloride, N-(5-diethylaminopentan-2-yl)-1-hydroxy-9,10-dioxo-anthracene-2-carboxamide Hydrochloride, N-[5-(diethylamino)pentan-2-yl]-1-hydroxy-9,10-dioxoanthracene-2-carboxamide hydrochloride
| Molecular Formula | C24H29ClN2O4 |
|---|---|
| Molecular Weight | 444.18 g/mol |
| LogP | 3.8297 |
| Topological Polar Surface Area | 86.7 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 444.18158 |
| Heavy Atoms | 31 |
| Complexity | 633.0 |
Chemical Identifiers
| CAS Number | 81086-01-3 |
|---|---|
| SMILES | CCN(CC)CCCC(C)NC(=O)C1=C(C2=C(C=C1)C(=O)C3=CC=CC=C3C2=O)O.Cl |
| InChIKey | VCZVPRFDZUPESM-UHFFFAOYSA-N |
Product Overview
N-(4-(Diethylamino)-1-methylbutyl)-9,10-dihydro-1-hydroxy-9,10-dioxo-2-anthracenecarboxamide monohydrochloride (CAS 81086-01-3), with molecular formula C24H29ClN2O4 and molecular weight 444.18 g/mol. IUPAC: N-[5-(diethylamino)pentan-2-yl]-1-hydroxy-9,10-dioxoanthracene-2-carboxamide;hydrochloride.
Chemical Property Profile of N-(4-(Diethylamino)-1-methylbutyl)-9,10-dihydro-1-hydroxy-9,10-dioxo-2-anthracenecarboxamide monohydrochloride
Property Insights of N-(4-(Diethylamino)-1-methylbutyl)-9,10-dihydro-1-hydroxy-9,10-dioxo-2-anthracenecarboxamide monohydrochloride
The XLogP value of 3.8297 indicates that N-(4-(Diethylamino)-1-methylbutyl)-9,10-dihydro-1-hydroxy-9,10-dioxo-2-anthracenecarboxamide monohydrochloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 86.7 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(4-(Diethylamino)-1-methylbutyl)-9,10-dihydro-1-hydroxy-9,10-dioxo-2-anthracenecarboxamide monohydrochloride. Following Lipinski's Rule of Five, N-(4-(Diethylamino)-1-methylbutyl)-9,10-dihydro-1-hydroxy-9,10-dioxo-2-anthracenecarboxamide monohydrochloride has 3 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of N-(4-(Diethylamino)-1-methylbutyl)-9,10-dihydro-1-hydroxy-9,10-dioxo-2-anthracenecarboxamide monohydrochloride?
The CAS number of N-(4-(Diethylamino)-1-methylbutyl)-9,10-dihydro-1-hydroxy-9,10-dioxo-2-anthracenecarboxamide monohydrochloride is 81086-01-3.
What is the molecular formula of N-(4-(Diethylamino)-1-methylbutyl)-9,10-dihydro-1-hydroxy-9,10-dioxo-2-anthracenecarboxamide monohydrochloride?
The molecular formula of N-(4-(Diethylamino)-1-methylbutyl)-9,10-dihydro-1-hydroxy-9,10-dioxo-2-anthracenecarboxamide monohydrochloride is C24H29ClN2O4.
What is the molecular weight of N-(4-(Diethylamino)-1-methylbutyl)-9,10-dihydro-1-hydroxy-9,10-dioxo-2-anthracenecarboxamide monohydrochloride?
The molecular weight of N-(4-(Diethylamino)-1-methylbutyl)-9,10-dihydro-1-hydroxy-9,10-dioxo-2-anthracenecarboxamide monohydrochloride is 444.18 g/mol.
Where can I buy N-(4-(Diethylamino)-1-methylbutyl)-9,10-dihydro-1-hydroxy-9,10-dioxo-2-anthracenecarboxamide monohydrochloride?
You can request a quote for N-(4-(Diethylamino)-1-methylbutyl)-9,10-dihydro-1-hydroxy-9,10-dioxo-2-anthracenecarboxamide monohydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(4-(Diethylamino)-1-methylbutyl)-9,10-dihydro-1-hydroxy-9,10-dioxo-2-anthracenecarboxamide monohydrochloride?
Yes, KEHONG BIO provides custom synthesis services for N-(4-(Diethylamino)-1-methylbutyl)-9,10-dihydro-1-hydroxy-9,10-dioxo-2-anthracenecarboxamide monohydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.