1,3-diphenyl-1,3-propanedione thiosemicarbazone
TL;DR: 1,3-diphenyl-1,3-propanedione thiosemicarbazone (CAS 89459-16-5) is a chemical compound with molecular formula C19H24Cl2N4O2 and molecular weight 410.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
9-amino-N-[2-(dimethylamino)ethyl]-6-methoxyacridine-4-carboxamide;dihydrochloride
Also Known As: 1,3-diphenyl-1,3-propanedione thiosemicarbazone, 4-Acridinecarboxamide, 9-amino-N-(2-(dimethylamino)ethyl)-6-methoxy-, dihydrochloride, 9-Amino-N-(2-(dimethylamino)ethyl)-6-methoxy-4-acridinecarboxamide dihydrochloride, 9-amino-n-(2-6-methoxy-4-acridinecarboxamidedihydrochloride, 9-Amino-N-(2- -6-methoxy-4-acridinecarboxamidedihydrochloride
| Molecular Formula | C19H24Cl2N4O2 |
|---|---|
| Molecular Weight | 410.13 g/mol |
| LogP | 3.1138 |
| Topological Polar Surface Area | 80.5 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 410.12762 |
| Heavy Atoms | 27 |
| Complexity | 459.0 |
Chemical Identifiers
| CAS Number | 89459-16-5 |
|---|---|
| SMILES | CN(C)CCNC(=O)C1=CC=CC2=C(C3=C(C=C(C=C3)OC)N=C21)N.Cl.Cl |
| InChIKey | WCQVPMPHUTWRRO-UHFFFAOYSA-N |
Product Overview
1,3-diphenyl-1,3-propanedione thiosemicarbazone (CAS 89459-16-5), with molecular formula C19H24Cl2N4O2 and molecular weight 410.13 g/mol. IUPAC: 9-amino-N-[2-(dimethylamino)ethyl]-6-methoxyacridine-4-carboxamide;dihydrochloride.
Chemical Property Profile of 1,3-diphenyl-1,3-propanedione thiosemicarbazone
Property Insights of 1,3-diphenyl-1,3-propanedione thiosemicarbazone
The XLogP value of 3.1138 indicates that 1,3-diphenyl-1,3-propanedione thiosemicarbazone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 80.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,3-diphenyl-1,3-propanedione thiosemicarbazone. Following Lipinski's Rule of Five, 1,3-diphenyl-1,3-propanedione thiosemicarbazone has 4 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 1,3-diphenyl-1,3-propanedione thiosemicarbazone?
The CAS number of 1,3-diphenyl-1,3-propanedione thiosemicarbazone is 89459-16-5.
What is the molecular formula of 1,3-diphenyl-1,3-propanedione thiosemicarbazone?
The molecular formula of 1,3-diphenyl-1,3-propanedione thiosemicarbazone is C19H24Cl2N4O2.
What is the molecular weight of 1,3-diphenyl-1,3-propanedione thiosemicarbazone?
The molecular weight of 1,3-diphenyl-1,3-propanedione thiosemicarbazone is 410.13 g/mol.
Where can I buy 1,3-diphenyl-1,3-propanedione thiosemicarbazone?
You can request a quote for 1,3-diphenyl-1,3-propanedione thiosemicarbazone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3-diphenyl-1,3-propanedione thiosemicarbazone?
Yes, KEHONG BIO provides custom synthesis services for 1,3-diphenyl-1,3-propanedione thiosemicarbazone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.