1-(Benzylsulfonyl)-4-(2-fluorobenzyl)piperazine
TL;DR: 1-(Benzylsulfonyl)-4-(2-fluorobenzyl)piperazine (CAS 519005-35-7) is a chemical compound with molecular formula C18H21FN2O2S and molecular weight 348.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-benzylsulfonyl-4-[(2-fluorophenyl)methyl]piperazine
Also Known As: 1-(benzylsulfonyl)-4-(2-fluorobenzyl)piperazine, 1-benzylsulfonyl-4-[(2-fluorophenyl)methyl]piperazine, 4-[(2-fluorophenyl)methyl]-1-[benzylsulfonyl]piperazine, 1-[(2-FLUOROPHENYL)METHYL]-4-PHENYLMETHANESULFONYLPIPERAZINE
| Molecular Formula | C18H21FN2O2S |
|---|---|
| Molecular Weight | 348.13 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 49.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 348.13077 |
| Heavy Atoms | 24 |
| Complexity | 480.0 |
Chemical Identifiers
| CAS Number | 519005-35-7 |
|---|---|
| SMILES | C1CN(CCN1CC2=CC=CC=C2F)S(=O)(=O)CC3=CC=CC=C3 |
| InChIKey | HFKIPDVTXIHYAP-UHFFFAOYSA-N |
Product Overview
1-(Benzylsulfonyl)-4-(2-fluorobenzyl)piperazine (CAS 519005-35-7), with molecular formula C18H21FN2O2S and molecular weight 348.13 g/mol. IUPAC: 1-benzylsulfonyl-4-[(2-fluorophenyl)methyl]piperazine.
Chemical Property Profile of 1-(Benzylsulfonyl)-4-(2-fluorobenzyl)piperazine
Property Insights of 1-(Benzylsulfonyl)-4-(2-fluorobenzyl)piperazine
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(Benzylsulfonyl)-4-(2-fluorobenzyl)piperazine. With a topological polar surface area (TPSA) of 49.0 Ų, 1-(Benzylsulfonyl)-4-(2-fluorobenzyl)piperazine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(Benzylsulfonyl)-4-(2-fluorobenzyl)piperazine has 0 hydrogen bond donor(s) and 5 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 1-(Benzylsulfonyl)-4-(2-fluorobenzyl)piperazine?
The CAS number of 1-(Benzylsulfonyl)-4-(2-fluorobenzyl)piperazine is 519005-35-7.
What is the molecular formula of 1-(Benzylsulfonyl)-4-(2-fluorobenzyl)piperazine?
The molecular formula of 1-(Benzylsulfonyl)-4-(2-fluorobenzyl)piperazine is C18H21FN2O2S.
What is the molecular weight of 1-(Benzylsulfonyl)-4-(2-fluorobenzyl)piperazine?
The molecular weight of 1-(Benzylsulfonyl)-4-(2-fluorobenzyl)piperazine is 348.13 g/mol.
Where can I buy 1-(Benzylsulfonyl)-4-(2-fluorobenzyl)piperazine?
You can request a quote for 1-(Benzylsulfonyl)-4-(2-fluorobenzyl)piperazine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(Benzylsulfonyl)-4-(2-fluorobenzyl)piperazine?
Yes, KEHONG BIO provides custom synthesis services for 1-(Benzylsulfonyl)-4-(2-fluorobenzyl)piperazine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.