RefChem:247791
TL;DR: RefChem:247791 (CAS 171088-79-2) is a chemical compound with molecular formula C21H15Cl2N5O2 and molecular weight 439.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[5,7-bis(4-chlorophenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]pyrrolidine-2,5-dione
Also Known As: 2,5-Pyrrolidinedione, 1-(5,7-bis(4-chlorophenyl)-1,7-dihydro(1,2,4)triazolo(1,5-a)pyrimidin-2-yl)-, 1-(5,7-bis(4-chlorophenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)pyrrolidine-2,5-dione, 1-[5,7-bis(4-chlorophenyl)-1,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]pyrrolidine-2,5-dione, 1-[5,7-Bis(4-chlorophenyl)-1,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]pyrrolidine-2,5-dione, 1-[5,7-bis(4-chlorophenyl)-3,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]pyrrolidine-2,5-dione
| Molecular Formula | C21H15Cl2N5O2 |
|---|---|
| Molecular Weight | 439.06 g/mol |
| LogP | 4.2943 |
| Topological Polar Surface Area | 80.12 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 439.06027 |
| Heavy Atoms | 30 |
| Complexity | 1169.1107 |
Chemical Identifiers
| CAS Number | 171088-79-2 |
|---|---|
| SMILES | C1CC(=O)N(C1=O)C2=NN3C(C=C(NC3=N2)C4=CC=C(C=C4)Cl)C5=CC=C(C=C5)Cl |
Product Overview
RefChem:247791 (CAS 171088-79-2), with molecular formula C21H15Cl2N5O2 and molecular weight 439.06 g/mol. IUPAC: 1-[5,7-bis(4-chlorophenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]pyrrolidine-2,5-dione.
Chemical Property Profile of RefChem:247791
Property Insights of RefChem:247791
The XLogP value of 4.2943 indicates that RefChem:247791 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 80.12 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:247791. Following Lipinski's Rule of Five, RefChem:247791 has 1 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:247791?
The CAS number of RefChem:247791 is 171088-79-2.
What is the molecular formula of RefChem:247791?
The molecular formula of RefChem:247791 is C21H15Cl2N5O2.
What is the molecular weight of RefChem:247791?
The molecular weight of RefChem:247791 is 439.06 g/mol.
Where can I buy RefChem:247791?
You can request a quote for RefChem:247791 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:247791?
Yes, KEHONG BIO provides custom synthesis services for RefChem:247791 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.