1,3-diphenyl-1,3-propanedione thiosemicarbazone
TL;DR: 1,3-diphenyl-1,3-propanedione thiosemicarbazone (CAS 89459-10-9) is a chemical compound with molecular formula C19H24Cl2N4O and molecular weight 394.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
9-amino-N-[2-(dimethylamino)ethyl]-5-methylacridine-4-carboxamide;dihydrochloride
Also Known As: 1,3-diphenyl-1,3-propanedione thiosemicarbazone, 4-Acridinecarboxamide, 9-amino-N-(2-(dimethylamino)ethyl)-5-methyl-, dihydrochloride, 9-Amino-N-(2-(dimethylamino)ethyl)-5-methyl-4-acridinecarboxamide dihydrochloride, 9-amino-n-(2-5-methyl-4-acridinecarboxamidedihydrochloride, 9-Amino-N-(2- -5-methyl-4-acridinecarboxamidedihydrochloride
| Molecular Formula | C19H24Cl2N4O |
|---|---|
| Molecular Weight | 394.13 g/mol |
| LogP | 3.41362 |
| Topological Polar Surface Area | 71.3 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 394.13272 |
| Heavy Atoms | 26 |
| Complexity | 441.0 |
Chemical Identifiers
| CAS Number | 89459-10-9 |
|---|---|
| SMILES | CC1=C2C(=CC=C1)C(=C3C=CC=C(C3=N2)C(=O)NCCN(C)C)N.Cl.Cl |
| InChIKey | GUMPCUHWVVDPHG-UHFFFAOYSA-N |
Product Overview
1,3-diphenyl-1,3-propanedione thiosemicarbazone (CAS 89459-10-9), with molecular formula C19H24Cl2N4O and molecular weight 394.13 g/mol. IUPAC: 9-amino-N-[2-(dimethylamino)ethyl]-5-methylacridine-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 3.41362 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 71.3 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 4 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 89459-10-9.
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 C19H24Cl2N4O.
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 394.13 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.