F0561-0508
TL;DR: F0561-0508 (CAS 958703-72-5) is a chemical compound with molecular formula C22H22ClN3O3S and molecular weight 443.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-butoxy-N-[2-(3-chlorophenyl)-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]benzamide
Also Known As: F0561-0508, 4-butoxy-N-(2-(3-chlorophenyl)-5-oxido-4,6-dihydro-2H-thieno[3,4-c]pyrazol-3-yl)benzamide, 4-butoxy-N-[2-(3-chlorophenyl)-5-oxo-2H,4H,6H-5lambda4-thieno[3,4-c]pyrazol-3-yl]benzamide, 4-butoxy-N-[2-(3-chlorophenyl)-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]benzamide, 4-(p-butoxybenzylamino)-3-(m-chlorophenyl)-7-thia-2,3-diazabicyclo[3.3.0]octa-1,4-dien-7-ium-7-olate
| Molecular Formula | C22H22ClN3O3S |
|---|---|
| Molecular Weight | 443.11 g/mol |
| LogP | 4.7192 |
| Topological Polar Surface Area | 73.22 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 443.10703 |
| Heavy Atoms | 30 |
| Complexity | 1095.5072 |
Chemical Identifiers
| CAS Number | 958703-72-5 |
|---|---|
| SMILES | CCCCOC1=CC=C(C=C1)C(=O)NC2=C3CS(=O)CC3=NN2C4=CC(=CC=C4)Cl |
Product Overview
F0561-0508 (CAS 958703-72-5), with molecular formula C22H22ClN3O3S and molecular weight 443.11 g/mol. IUPAC: 4-butoxy-N-[2-(3-chlorophenyl)-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]benzamide.
Chemical Property Profile of F0561-0508
Property Insights of F0561-0508
The XLogP value of 4.7192 indicates that F0561-0508 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 73.22 Ų falls within the moderate polarity range, balancing permeability and solubility for F0561-0508. Following Lipinski's Rule of Five, F0561-0508 has 1 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 F0561-0508?
The CAS number of F0561-0508 is 958703-72-5.
What is the molecular formula of F0561-0508?
The molecular formula of F0561-0508 is C22H22ClN3O3S.
What is the molecular weight of F0561-0508?
The molecular weight of F0561-0508 is 443.11 g/mol.
Where can I buy F0561-0508?
You can request a quote for F0561-0508 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F0561-0508?
Yes, KEHONG BIO provides custom synthesis services for F0561-0508 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.