F0653-0048
TL;DR: F0653-0048 (CAS 831231-30-2) is a chemical compound with molecular formula C21H21N5O2S and molecular weight 407.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(4-ethoxyphenyl)-2-[[5-(1H-indol-3-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetamide
Also Known As: F0653-0048, 2-((5-(1H-indol-3-yl)-4-methyl-4H-1,2,4-triazol-3-yl)thio)-N-(4-ethoxyphenyl)acetamide, N-(4-ethoxyphenyl)-2-{[5-(1H-indol-3-yl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide, N-(4-ethoxyphenyl)-2-[[5-(1H-indol-3-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetamide, N-(4-ethoxyphenyl)-2-[(5-indol-3-ylidene-4-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide
| Molecular Formula | C21H21N5O2S |
|---|---|
| Molecular Weight | 407.14 g/mol |
| LogP | 4.0929 |
| Topological Polar Surface Area | 84.83 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 407.1416 |
| Heavy Atoms | 29 |
| Complexity | 1133.6526 |
Chemical Identifiers
| CAS Number | 831231-30-2 |
|---|---|
| SMILES | CCOC1=CC=C(C=C1)NC(=O)CSC2=NN=C(N2C)C3=CNC4=CC=CC=C43 |
Product Overview
F0653-0048 (CAS 831231-30-2), with molecular formula C21H21N5O2S and molecular weight 407.14 g/mol. IUPAC: N-(4-ethoxyphenyl)-2-[[5-(1H-indol-3-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetamide.
Chemical Property Profile of F0653-0048
Property Insights of F0653-0048
The XLogP value of 4.0929 indicates that F0653-0048 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 84.83 Ų falls within the moderate polarity range, balancing permeability and solubility for F0653-0048. Following Lipinski's Rule of Five, F0653-0048 has 2 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 F0653-0048?
The CAS number of F0653-0048 is 831231-30-2.
What is the molecular formula of F0653-0048?
The molecular formula of F0653-0048 is C21H21N5O2S.
What is the molecular weight of F0653-0048?
The molecular weight of F0653-0048 is 407.14 g/mol.
Where can I buy F0653-0048?
You can request a quote for F0653-0048 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F0653-0048?
Yes, KEHONG BIO provides custom synthesis services for F0653-0048 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.