F0653-0063
TL;DR: F0653-0063 (CAS 852143-07-8) is a chemical compound with molecular formula C21H19N5O3S and molecular weight 421.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-[[2-[[5-(1H-indol-3-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzoate
Also Known As: F0653-0063, methyl 4-(2-((5-(1H-indol-3-yl)-4-methyl-4H-1,2,4-triazol-3-yl)thio)acetamido)benzoate, methyl 4-(2-{[5-(1H-indol-3-yl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamido)benzoate, Methyl 4-[[2-[(5-indol-3-ylidene-4-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]benzoate, methyl 4-[[2-[[(5Z)-5-indol-3-ylidene-4-methyl-1H-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzoate
| Molecular Formula | C21H19N5O3S |
|---|---|
| Molecular Weight | 421.12 g/mol |
| LogP | 3.4808 |
| Topological Polar Surface Area | 101.9 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 421.12085 |
| Heavy Atoms | 30 |
| Complexity | 1213.0978 |
Chemical Identifiers
| CAS Number | 852143-07-8 |
|---|---|
| SMILES | CN1C(=NN=C1SCC(=O)NC2=CC=C(C=C2)C(=O)OC)C3=CNC4=CC=CC=C43 |
Product Overview
F0653-0063 (CAS 852143-07-8), with molecular formula C21H19N5O3S and molecular weight 421.12 g/mol. IUPAC: methyl 4-[[2-[[5-(1H-indol-3-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzoate.
Chemical Property Profile of F0653-0063
Property Insights of F0653-0063
The XLogP value of 3.4808 indicates that F0653-0063 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 101.9 Ų falls within the moderate polarity range, balancing permeability and solubility for F0653-0063. Following Lipinski's Rule of Five, F0653-0063 has 2 hydrogen bond donor(s) and 6 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 F0653-0063?
The CAS number of F0653-0063 is 852143-07-8.
What is the molecular formula of F0653-0063?
The molecular formula of F0653-0063 is C21H19N5O3S.
What is the molecular weight of F0653-0063?
The molecular weight of F0653-0063 is 421.12 g/mol.
Where can I buy F0653-0063?
You can request a quote for F0653-0063 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F0653-0063?
Yes, KEHONG BIO provides custom synthesis services for F0653-0063 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.