A1678/0071605
TL;DR: A1678/0071605 (CAS 398470-22-9) is a chemical compound with molecular formula C24H20FN5O5S and molecular weight 509.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[5-(3,4-dimethoxyphenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-fluoro-3-nitrophenyl)acetamide
Also Known As: A1678/0071605, 2-{[5-(3,4-dimethoxyphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-fluoro-3-nitrophenyl)acetamide, 2-((5-(3,4-dimethoxyphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl)thio)-N-(4-fluoro-3-nitrophenyl)acetamide, 2-[[5-(3,4-dimethoxyphenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-fluoro-3-nitrophenyl)acetamide, 2-[5-(3,4-dimethoxyphenyl)-4-phenyl(1,2,4-triazol-3-ylthio)]-N-(4-fluoro-3-nit rophenyl)acetamide
| Molecular Formula | C24H20FN5O5S |
|---|---|
| Molecular Weight | 509.12 g/mol |
| LogP | 4.7296 |
| Topological Polar Surface Area | 121.41 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 9 |
| Exact Mass | 509.1169 |
| Heavy Atoms | 36 |
| Complexity | 1413.535 |
Chemical Identifiers
| CAS Number | 398470-22-9 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)C2=NN=C(N2C3=CC=CC=C3)SCC(=O)NC4=CC(=C(C=C4)F)[N+](=O)[O-])OC |
Product Overview
A1678/0071605 (CAS 398470-22-9), with molecular formula C24H20FN5O5S and molecular weight 509.12 g/mol. IUPAC: 2-[[5-(3,4-dimethoxyphenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-fluoro-3-nitrophenyl)acetamide.
Chemical Property Profile of A1678/0071605
Property Insights of A1678/0071605
The XLogP value of 4.7296 indicates that A1678/0071605 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 121.41 Ų falls within the moderate polarity range, balancing permeability and solubility for A1678/0071605. Following Lipinski's Rule of Five, A1678/0071605 has 1 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of A1678/0071605?
The CAS number of A1678/0071605 is 398470-22-9.
What is the molecular formula of A1678/0071605?
The molecular formula of A1678/0071605 is C24H20FN5O5S.
What is the molecular weight of A1678/0071605?
The molecular weight of A1678/0071605 is 509.12 g/mol.
Where can I buy A1678/0071605?
You can request a quote for A1678/0071605 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A1678/0071605?
Yes, KEHONG BIO provides custom synthesis services for A1678/0071605 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.