ChemDiv2_001978
TL;DR: ChemDiv2_001978 (CAS 339198-50-4) is a chemical compound with molecular formula C22H20N4O2S and molecular weight 404.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[5-(furan-2-yl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-(1-phenylethyl)acetamide
Also Known As: ChemDiv2_001978, BIM-0037771.P001, A0006/0000264, 2-[[5-(furan-2-yl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-(1-phenylethyl)acetamide, 2-{[5-(furan-2-yl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(1-phenylethyl)acetamide
| Molecular Formula | C22H20N4O2S |
|---|---|
| Molecular Weight | 404.13 g/mol |
| LogP | 4.4968 |
| Topological Polar Surface Area | 72.95 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 404.1307 |
| Heavy Atoms | 29 |
| Complexity | 1062.9174 |
Chemical Identifiers
| CAS Number | 339198-50-4 |
|---|---|
| SMILES | CC(C1=CC=CC=C1)NC(=O)CSC2=NN=C(N2C3=CC=CC=C3)C4=CC=CO4 |
Product Overview
ChemDiv2_001978 (CAS 339198-50-4), with molecular formula C22H20N4O2S and molecular weight 404.13 g/mol. IUPAC: 2-[[5-(furan-2-yl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-(1-phenylethyl)acetamide.
Chemical Property Profile of ChemDiv2_001978
Property Insights of ChemDiv2_001978
The XLogP value of 4.4968 indicates that ChemDiv2_001978 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 72.95 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv2_001978. Following Lipinski's Rule of Five, ChemDiv2_001978 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 ChemDiv2_001978?
The CAS number of ChemDiv2_001978 is 339198-50-4.
What is the molecular formula of ChemDiv2_001978?
The molecular formula of ChemDiv2_001978 is C22H20N4O2S.
What is the molecular weight of ChemDiv2_001978?
The molecular weight of ChemDiv2_001978 is 404.13 g/mol.
Where can I buy ChemDiv2_001978?
You can request a quote for ChemDiv2_001978 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv2_001978?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv2_001978 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.