F0653-0529
TL;DR: F0653-0529 (CAS 896677-32-0) is a chemical compound with molecular formula C25H20N6O4S and molecular weight 500.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[5-(1H-indol-3-yl)-4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-nitrophenyl)acetamide
Also Known As: F0653-0529, 2-{[5-(1H-indol-3-yl)-4-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-nitrophenyl)acetamide, 2-((5-(1H-indol-3-yl)-4-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl)thio)-N-(4-nitrophenyl)acetamide, 2-[[5-(1H-indol-3-yl)-4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-nitrophenyl)acetamide, 2-[[5-indol-3-ylidene-4-(4-methoxyphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-N-(4-nitrophenyl)acetamide
| Molecular Formula | C25H20N6O4S |
|---|---|
| Molecular Weight | 500.13 g/mol |
| LogP | 5.0632 |
| Topological Polar Surface Area | 127.97 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 500.12668 |
| Heavy Atoms | 36 |
| Complexity | 1543.3909 |
Chemical Identifiers
| CAS Number | 896677-32-0 |
|---|---|
| SMILES | COC1=CC=C(C=C1)N2C(=NN=C2SCC(=O)NC3=CC=C(C=C3)[N+](=O)[O-])C4=CNC5=CC=CC=C54 |
Product Overview
F0653-0529 (CAS 896677-32-0), with molecular formula C25H20N6O4S and molecular weight 500.13 g/mol. IUPAC: 2-[[5-(1H-indol-3-yl)-4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-nitrophenyl)acetamide.
Chemical Property Profile of F0653-0529
Property Insights of F0653-0529
The XLogP value of 5.0632 indicates that F0653-0529 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 127.97 Ų falls within the moderate polarity range, balancing permeability and solubility for F0653-0529. Following Lipinski's Rule of Five, F0653-0529 has 2 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of F0653-0529?
The CAS number of F0653-0529 is 896677-32-0.
What is the molecular formula of F0653-0529?
The molecular formula of F0653-0529 is C25H20N6O4S.
What is the molecular weight of F0653-0529?
The molecular weight of F0653-0529 is 500.13 g/mol.
Where can I buy F0653-0529?
You can request a quote for F0653-0529 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F0653-0529?
Yes, KEHONG BIO provides custom synthesis services for F0653-0529 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.