F0544-0089
TL;DR: F0544-0089 (CAS 497063-97-5) is a chemical compound with molecular formula C22H21N5O2S3 and molecular weight 483.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2-[3-(4-methylphenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl]sulfanyl-6,7-dihydro-5H-[1,3,4]thiadiazolo[3,2-a][1,3]diazepin-8-one
Also Known As: F0544-0089, 2-((2-oxo-2-(3-(thiophen-2-yl)-5-(p-tolyl)-4,5-dihydro-1H-pyrazol-1-yl)ethyl)thio)-6,7-dihydro-[1,3,4]thiadiazolo[3,2-a][1,3]diazepin-8(5H)-one, 2-[2-[3-(4-methylphenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl]sulfanyl-6,7-dihydro-5H-[1,3,4]thiadiazolo[3,2-a][1,3]diazepin-8-one
| Molecular Formula | C22H21N5O2S3 |
|---|---|
| Molecular Weight | 483.09 g/mol |
| LogP | 4.46362 |
| Topological Polar Surface Area | 77.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 4 |
| Exact Mass | 483.08572 |
| Heavy Atoms | 32 |
| Complexity | 1124.9448 |
Chemical Identifiers
| CAS Number | 497063-97-5 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C2CC(=NN2C(=O)CSC3=NN4CCCC(=O)N=C4S3)C5=CC=CS5 |
Product Overview
F0544-0089 (CAS 497063-97-5), with molecular formula C22H21N5O2S3 and molecular weight 483.09 g/mol. IUPAC: 2-[2-[3-(4-methylphenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl]sulfanyl-6,7-dihydro-5H-[1,3,4]thiadiazolo[3,2-a][1,3]diazepin-8-one.
Chemical Property Profile of F0544-0089
Property Insights of F0544-0089
The XLogP value of 4.46362 indicates that F0544-0089 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 77.7 Ų falls within the moderate polarity range, balancing permeability and solubility for F0544-0089. Following Lipinski's Rule of Five, F0544-0089 has 0 hydrogen bond donor(s) and 8 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 F0544-0089?
The CAS number of F0544-0089 is 497063-97-5.
What is the molecular formula of F0544-0089?
The molecular formula of F0544-0089 is C22H21N5O2S3.
What is the molecular weight of F0544-0089?
The molecular weight of F0544-0089 is 483.09 g/mol.
Where can I buy F0544-0089?
You can request a quote for F0544-0089 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F0544-0089?
Yes, KEHONG BIO provides custom synthesis services for F0544-0089 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.