F0653-0042
TL;DR: F0653-0042 (CAS 831199-32-7) is a chemical compound with molecular formula C20H18ClN5OS and molecular weight 411.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(3-chloro-4-methylphenyl)-2-[[5-(1H-indol-3-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetamide
Also Known As: F0653-0042, N-(3-chloro-4-methylphenyl)-2-{[5-(1H-indol-3-yl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide, 2-((5-(1H-indol-3-yl)-4-methyl-4H-1,2,4-triazol-3-yl)thio)-N-(3-chloro-4-methylphenyl)acetamide, N-(3-chloro-4-methylphenyl)-2-[(5-indol-3-ylidene-4-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide, N-(3-chloro-4-methylphenyl)-2-[[(5Z)-5-indol-3-ylidene-4-methyl-1H-1,2,4-triazol-3-yl]sulfanyl]acetamide
| Molecular Formula | C20H18ClN5OS |
|---|---|
| Molecular Weight | 411.09 g/mol |
| LogP | 4.65602 |
| Topological Polar Surface Area | 75.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 411.09207 |
| Heavy Atoms | 28 |
| Complexity | 1166.5851 |
Chemical Identifiers
| CAS Number | 831199-32-7 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)NC(=O)CSC2=NN=C(N2C)C3=CNC4=CC=CC=C43)Cl |
Product Overview
F0653-0042 (CAS 831199-32-7), with molecular formula C20H18ClN5OS and molecular weight 411.09 g/mol. IUPAC: N-(3-chloro-4-methylphenyl)-2-[[5-(1H-indol-3-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetamide.
Chemical Property Profile of F0653-0042
Property Insights of F0653-0042
The XLogP value of 4.65602 indicates that F0653-0042 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 75.6 Ų falls within the moderate polarity range, balancing permeability and solubility for F0653-0042. Following Lipinski's Rule of Five, F0653-0042 has 2 hydrogen bond donor(s) and 4 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 F0653-0042?
The CAS number of F0653-0042 is 831199-32-7.
What is the molecular formula of F0653-0042?
The molecular formula of F0653-0042 is C20H18ClN5OS.
What is the molecular weight of F0653-0042?
The molecular weight of F0653-0042 is 411.09 g/mol.
Where can I buy F0653-0042?
You can request a quote for F0653-0042 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F0653-0042?
Yes, KEHONG BIO provides custom synthesis services for F0653-0042 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.