1-(Benzenesulfonyl)-4-propan-2-ylpiperazine
TL;DR: 1-(Benzenesulfonyl)-4-propan-2-ylpiperazine (CAS 100800-52-0) is a chemical compound with molecular formula C13H20N2O2S and molecular weight 268.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(benzenesulfonyl)-4-propan-2-ylpiperazine
Also Known As: 1-(benzenesulfonyl)-4-propan-2-ylpiperazine, 1-Benzenesulfonyl-4-isopropyl-piperazine, BAS 02500592, 1-(1-Methylethyl)-4-(phenylsulfonyl)piperazine, 1-isopropyl-4-(phenylsulfonyl)piperazine
| Molecular Formula | C13H20N2O2S |
|---|---|
| Molecular Weight | 268.12 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 49.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 268.12454 |
| Heavy Atoms | 18 |
| Complexity | 348.0 |
Chemical Identifiers
| CAS Number | 100800-52-0 |
|---|---|
| SMILES | CC(C)N1CCN(CC1)S(=O)(=O)C2=CC=CC=C2 |
| InChIKey | ZHOBXESVWFXOGI-UHFFFAOYSA-N |
Product Overview
1-(Benzenesulfonyl)-4-propan-2-ylpiperazine (CAS 100800-52-0), with molecular formula C13H20N2O2S and molecular weight 268.12 g/mol. IUPAC: 1-(benzenesulfonyl)-4-propan-2-ylpiperazine.
Chemical Property Profile of 1-(Benzenesulfonyl)-4-propan-2-ylpiperazine
Property Insights of 1-(Benzenesulfonyl)-4-propan-2-ylpiperazine
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(Benzenesulfonyl)-4-propan-2-ylpiperazine. With a topological polar surface area (TPSA) of 49.0 Ų, 1-(Benzenesulfonyl)-4-propan-2-ylpiperazine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(Benzenesulfonyl)-4-propan-2-ylpiperazine 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 1-(Benzenesulfonyl)-4-propan-2-ylpiperazine?
The CAS number of 1-(Benzenesulfonyl)-4-propan-2-ylpiperazine is 100800-52-0.
What is the molecular formula of 1-(Benzenesulfonyl)-4-propan-2-ylpiperazine?
The molecular formula of 1-(Benzenesulfonyl)-4-propan-2-ylpiperazine is C13H20N2O2S.
What is the molecular weight of 1-(Benzenesulfonyl)-4-propan-2-ylpiperazine?
The molecular weight of 1-(Benzenesulfonyl)-4-propan-2-ylpiperazine is 268.12 g/mol.
Where can I buy 1-(Benzenesulfonyl)-4-propan-2-ylpiperazine?
You can request a quote for 1-(Benzenesulfonyl)-4-propan-2-ylpiperazine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(Benzenesulfonyl)-4-propan-2-ylpiperazine?
Yes, KEHONG BIO provides custom synthesis services for 1-(Benzenesulfonyl)-4-propan-2-ylpiperazine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.