A1379/0061748
TL;DR: A1379/0061748 (CAS 339336-95-7) is a chemical compound with molecular formula C22H25N5O2S and molecular weight 423.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[(3,4-diphenyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]piperazine-1-carboxylate
Also Known As: A1379/0061748, ethyl 4-[(3,4-diphenyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]piperazine-1-carboxylate, ethyl 4-[(3,4-diphenyl-5-thioxo-4,5-dihydro-1H-1,2,4-triazol-1-yl)methyl]piperazine-1-carboxylate, 4-(3,4-Diphenyl-5-thioxo-4,5-dihydro-[1,2,4]triazol-1-ylmethyl)-piperazine-1-carboxylic acid ethyl ester, ethyl 4-((3,4-diphenyl-5-thioxo-4,5-dihydro-1H-1,2,4-triazol-1-yl)methyl)piperazine-1-carboxylate
| Molecular Formula | C22H25N5O2S |
|---|---|
| Molecular Weight | 423.17 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 83.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 423.17288 |
| Heavy Atoms | 30 |
| Complexity | 637.0 |
Chemical Identifiers
| CAS Number | 339336-95-7 |
|---|---|
| SMILES | CCOC(=O)N1CCN(CC1)CN2C(=S)N(C(=N2)C3=CC=CC=C3)C4=CC=CC=C4 |
| InChIKey | WDXAWFCEWXFWDF-UHFFFAOYSA-N |
Product Overview
A1379/0061748 (CAS 339336-95-7), with molecular formula C22H25N5O2S and molecular weight 423.17 g/mol. IUPAC: ethyl 4-[(3,4-diphenyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]piperazine-1-carboxylate.
Chemical Property Profile of A1379/0061748
Property Insights of A1379/0061748
The XLogP value of 3.6 indicates that A1379/0061748 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 83.7 Ų falls within the moderate polarity range, balancing permeability and solubility for A1379/0061748. Following Lipinski's Rule of Five, A1379/0061748 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 A1379/0061748?
The CAS number of A1379/0061748 is 339336-95-7.
What is the molecular formula of A1379/0061748?
The molecular formula of A1379/0061748 is C22H25N5O2S.
What is the molecular weight of A1379/0061748?
The molecular weight of A1379/0061748 is 423.17 g/mol.
Where can I buy A1379/0061748?
You can request a quote for A1379/0061748 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A1379/0061748?
Yes, KEHONG BIO provides custom synthesis services for A1379/0061748 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.