IFLab1_006453
TL;DR: IFLab1_006453 (CAS 690247-21-3) is a chemical compound with molecular formula C22H26FN3O3S and molecular weight 431.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-(2-fluorophenyl)piperazin-1-yl]-(4-methyl-3-pyrrolidin-1-ylsulfonylphenyl)methanone
Also Known As: IFLab1_006453, F1651-0082, (4-(2-fluorophenyl)piperazin-1-yl)(4-methyl-3-(pyrrolidin-1-ylsulfonyl)phenyl)methanone, [4-(2-fluorophenyl)piperazin-1-yl]-(4-methyl-3-pyrrolidin-1-ylsulfonylphenyl)methanone, 1-(2-FLUOROPHENYL)-4-[4-METHYL-3-(PYRROLIDINE-1-SULFONYL)BENZOYL]PIPERAZINE
| Molecular Formula | C22H26FN3O3S |
|---|---|
| Molecular Weight | 431.17 g/mol |
| LogP | 2.88102 |
| Topological Polar Surface Area | 60.93 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 431.16788 |
| Heavy Atoms | 30 |
| Complexity | 1043.3434 |
Chemical Identifiers
| CAS Number | 690247-21-3 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)C(=O)N2CCN(CC2)C3=CC=CC=C3F)S(=O)(=O)N4CCCC4 |
Product Overview
IFLab1_006453 (CAS 690247-21-3), with molecular formula C22H26FN3O3S and molecular weight 431.17 g/mol. IUPAC: [4-(2-fluorophenyl)piperazin-1-yl]-(4-methyl-3-pyrrolidin-1-ylsulfonylphenyl)methanone.
Chemical Property Profile of IFLab1_006453
Property Insights of IFLab1_006453
The XLogP value of 2.88102 suggests moderate lipophilicity, balancing water solubility and membrane permeability for IFLab1_006453. The TPSA of 60.93 Ų falls within the moderate polarity range, balancing permeability and solubility for IFLab1_006453. Following Lipinski's Rule of Five, IFLab1_006453 has 0 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 IFLab1_006453?
The CAS number of IFLab1_006453 is 690247-21-3.
What is the molecular formula of IFLab1_006453?
The molecular formula of IFLab1_006453 is C22H26FN3O3S.
What is the molecular weight of IFLab1_006453?
The molecular weight of IFLab1_006453 is 431.17 g/mol.
Where can I buy IFLab1_006453?
You can request a quote for IFLab1_006453 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for IFLab1_006453?
Yes, KEHONG BIO provides custom synthesis services for IFLab1_006453 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.