1,3-diphenyl-1,3-propanedione thiosemicarbazone
TL;DR: 1,3-diphenyl-1,3-propanedione thiosemicarbazone (CAS 89459-21-2) is a chemical compound with molecular formula C18H21Cl3N4O and molecular weight 414.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
9-amino-7-chloro-N-[2-(dimethylamino)ethyl]acridine-4-carboxamide;dihydrochloride
Also Known As: 1,3-diphenyl-1,3-propanedione thiosemicarbazone, 4-Acridinecarboxamide, 9-amino-7-chloro-N-(2-(dimethylamino)ethyl)-, dihydrochloride, 9-Amino-7-chloro-N-(2-(dimethylamino)ethyl)-4-acridinecarboxamide dihydrochloride, 9-amino-7-chloro-n-(2-4-acridinecarboxamidedihydrochloride, 9-Amino-7-chloro-N-(2- -4-acridinecarboxamidedihydrochloride
| Molecular Formula | C18H21Cl3N4O |
|---|---|
| Molecular Weight | 414.08 g/mol |
| LogP | 3.7586 |
| Topological Polar Surface Area | 71.3 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 414.0781 |
| Heavy Atoms | 26 |
| Complexity | 447.0 |
Chemical Identifiers
| CAS Number | 89459-21-2 |
|---|---|
| SMILES | CN(C)CCNC(=O)C1=CC=CC2=C(C3=C(C=CC(=C3)Cl)N=C21)N.Cl.Cl |
| InChIKey | NPWNOKYMASKXFI-UHFFFAOYSA-N |
Product Overview
1,3-diphenyl-1,3-propanedione thiosemicarbazone (CAS 89459-21-2), with molecular formula C18H21Cl3N4O and molecular weight 414.08 g/mol. IUPAC: 9-amino-7-chloro-N-[2-(dimethylamino)ethyl]acridine-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 3.7586 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 89459-21-2.
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 C18H21Cl3N4O.
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 414.08 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.