3-(Benzylsulfonyl)-1-(4-phenylpiperazin-1-yl)propan-1-one
TL;DR: 3-(Benzylsulfonyl)-1-(4-phenylpiperazin-1-yl)propan-1-one (CAS 827620-22-4) is a chemical compound with molecular formula C20H24N2O3S and molecular weight 372.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-benzylsulfonyl-1-(4-phenylpiperazin-1-yl)propan-1-one
Also Known As: 3-(benzylsulfonyl)-1-(4-phenylpiperazin-1-yl)propan-1-one, VU0161255-4, 3-benzylsulfonyl-1-(4-phenylpiperazin-1-yl)propan-1-one, 1-[3-(benzylsulfonyl)propanoyl]-4-phenylpiperazine, 3-PHENYLMETHANESULFONYL-1-(4-PHENYLPIPERAZIN-1-YL)PROPAN-1-ONE
| Molecular Formula | C20H24N2O3S |
|---|---|
| Molecular Weight | 372.15 g/mol |
| LogP | 2.3403 |
| Topological Polar Surface Area | 57.69 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 372.15076 |
| Heavy Atoms | 26 |
| Complexity | 814.6495 |
Chemical Identifiers
| CAS Number | 827620-22-4 |
|---|---|
| SMILES | C1CN(CCN1C2=CC=CC=C2)C(=O)CCS(=O)(=O)CC3=CC=CC=C3 |
Product Overview
3-(Benzylsulfonyl)-1-(4-phenylpiperazin-1-yl)propan-1-one (CAS 827620-22-4), with molecular formula C20H24N2O3S and molecular weight 372.15 g/mol. IUPAC: 3-benzylsulfonyl-1-(4-phenylpiperazin-1-yl)propan-1-one.
Chemical Property Profile of 3-(Benzylsulfonyl)-1-(4-phenylpiperazin-1-yl)propan-1-one
Property Insights of 3-(Benzylsulfonyl)-1-(4-phenylpiperazin-1-yl)propan-1-one
The XLogP value of 2.3403 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(Benzylsulfonyl)-1-(4-phenylpiperazin-1-yl)propan-1-one. With a topological polar surface area (TPSA) of 57.69 Ų, 3-(Benzylsulfonyl)-1-(4-phenylpiperazin-1-yl)propan-1-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(Benzylsulfonyl)-1-(4-phenylpiperazin-1-yl)propan-1-one 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 3-(Benzylsulfonyl)-1-(4-phenylpiperazin-1-yl)propan-1-one?
The CAS number of 3-(Benzylsulfonyl)-1-(4-phenylpiperazin-1-yl)propan-1-one is 827620-22-4.
What is the molecular formula of 3-(Benzylsulfonyl)-1-(4-phenylpiperazin-1-yl)propan-1-one?
The molecular formula of 3-(Benzylsulfonyl)-1-(4-phenylpiperazin-1-yl)propan-1-one is C20H24N2O3S.
What is the molecular weight of 3-(Benzylsulfonyl)-1-(4-phenylpiperazin-1-yl)propan-1-one?
The molecular weight of 3-(Benzylsulfonyl)-1-(4-phenylpiperazin-1-yl)propan-1-one is 372.15 g/mol.
Where can I buy 3-(Benzylsulfonyl)-1-(4-phenylpiperazin-1-yl)propan-1-one?
You can request a quote for 3-(Benzylsulfonyl)-1-(4-phenylpiperazin-1-yl)propan-1-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(Benzylsulfonyl)-1-(4-phenylpiperazin-1-yl)propan-1-one?
Yes, KEHONG BIO provides custom synthesis services for 3-(Benzylsulfonyl)-1-(4-phenylpiperazin-1-yl)propan-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.