RefChem:287522
TL;DR: RefChem:287522 (CAS 844648-17-5) is a chemical compound with molecular formula C17H13Cl2N5S and molecular weight 389.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[3-(2,4-dichlorophenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]-N,N-dimethylaniline
Also Known As: 4-[3-(2,4-dichlorophenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]-N,N-dimethylaniline, 4-[3-(2,4-Dichlorophenyl)-1,2,4-triazolo[3,4-b][1,3,4]thiadiazol-6-yl]-N,N-dimethylbenzenamine, 4-[3-(2,4-dichlorophenyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]-N,N-dimethylaniline, [4-[3-(2,4-dichlorophenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]phenyl]-dimethyl-amine, {4-[3-(2,4-dichlorophenyl)(1,2,4-triazolo[3,4-b]1,3,4-thiadiazolin-6-yl)]pheny l}dimethylamine
| Molecular Formula | C17H13Cl2N5S |
|---|---|
| Molecular Weight | 389.03 g/mol |
| LogP | 5.0 |
| Topological Polar Surface Area | 74.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 389.0269 |
| Heavy Atoms | 25 |
| Complexity | 462.0 |
Chemical Identifiers
| CAS Number | 844648-17-5 |
|---|---|
| SMILES | CN(C)C1=CC=C(C=C1)C2=NN3C(=NN=C3S2)C4=C(C=C(C=C4)Cl)Cl |
| InChIKey | PQXLNJJWLNUZKP-UHFFFAOYSA-N |
Product Overview
RefChem:287522 (CAS 844648-17-5), with molecular formula C17H13Cl2N5S and molecular weight 389.03 g/mol. IUPAC: 4-[3-(2,4-dichlorophenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]-N,N-dimethylaniline.
Chemical Property Profile of RefChem:287522
Property Insights of RefChem:287522
The XLogP value of 5.0 indicates that RefChem:287522 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 74.6 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:287522. Following Lipinski's Rule of Five, RefChem:287522 has 0 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 RefChem:287522?
The CAS number of RefChem:287522 is 844648-17-5.
What is the molecular formula of RefChem:287522?
The molecular formula of RefChem:287522 is C17H13Cl2N5S.
What is the molecular weight of RefChem:287522?
The molecular weight of RefChem:287522 is 389.03 g/mol.
Where can I buy RefChem:287522?
You can request a quote for RefChem:287522 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:287522?
Yes, KEHONG BIO provides custom synthesis services for RefChem:287522 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.