![1-[4-(4-methylbenzenesulfonyl)piperazin-1-yl]-3-(1H-1,2,4-triazol-1-yl)propan-1-one structure](/static/products/835/835893-85-1.png)
1-[4-(4-methylbenzenesulfonyl)piperazin-1-yl]-3-(1H-1,2,4-triazol-1-yl)propan-1-one
TL;DR: 1-[4-(4-methylbenzenesulfonyl)piperazin-1-yl]-3-(1H-1,2,4-triazol-1-yl)propan-1-one (CAS 835893-85-1) is a chemical compound with molecular formula C16H21N5O3S and molecular weight 363.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-3-(1,2,4-triazol-1-yl)propan-1-one
Also Known As: 1-[4-(4-methylbenzenesulfonyl)piperazin-1-yl]-3-(1H-1,2,4-triazol-1-yl)propan-1-one, 1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-3-(1,2,4-triazol-1-yl)propan-1-one, 1-{4-[(4-methylphenyl)sulfonyl]piperazinyl}-3-(1,2,4-triazolyl)propan-1-one
| Molecular Formula | C16H21N5O3S |
|---|---|
| Molecular Weight | 363.14 g/mol |
| LogP | 0.50972 |
| Topological Polar Surface Area | 88.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 363.1365 |
| Heavy Atoms | 25 |
| Complexity | 809.9649 |
Chemical Identifiers
| CAS Number | 835893-85-1 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)CCN3C=NC=N3 |
Product Overview
1-[4-(4-methylbenzenesulfonyl)piperazin-1-yl]-3-(1H-1,2,4-triazol-1-yl)propan-1-one (CAS 835893-85-1), with molecular formula C16H21N5O3S and molecular weight 363.14 g/mol. IUPAC: 1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-3-(1,2,4-triazol-1-yl)propan-1-one.
Chemical Property Profile of 1-[4-(4-methylbenzenesulfonyl)piperazin-1-yl]-3-(1H-1,2,4-triazol-1-yl)propan-1-one
Property Insights of 1-[4-(4-methylbenzenesulfonyl)piperazin-1-yl]-3-(1H-1,2,4-triazol-1-yl)propan-1-one
The XLogP value of 0.50972 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-[4-(4-methylbenzenesulfonyl)piperazin-1-yl]-3-(1H-1,2,4-triazol-1-yl)propan-1-one. The TPSA of 88.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-[4-(4-methylbenzenesulfonyl)piperazin-1-yl]-3-(1H-1,2,4-triazol-1-yl)propan-1-one. Following Lipinski's Rule of Five, 1-[4-(4-methylbenzenesulfonyl)piperazin-1-yl]-3-(1H-1,2,4-triazol-1-yl)propan-1-one 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-[4-(4-methylbenzenesulfonyl)piperazin-1-yl]-3-(1H-1,2,4-triazol-1-yl)propan-1-one?
The CAS number of 1-[4-(4-methylbenzenesulfonyl)piperazin-1-yl]-3-(1H-1,2,4-triazol-1-yl)propan-1-one is 835893-85-1.
What is the molecular formula of 1-[4-(4-methylbenzenesulfonyl)piperazin-1-yl]-3-(1H-1,2,4-triazol-1-yl)propan-1-one?
The molecular formula of 1-[4-(4-methylbenzenesulfonyl)piperazin-1-yl]-3-(1H-1,2,4-triazol-1-yl)propan-1-one is C16H21N5O3S.
What is the molecular weight of 1-[4-(4-methylbenzenesulfonyl)piperazin-1-yl]-3-(1H-1,2,4-triazol-1-yl)propan-1-one?
The molecular weight of 1-[4-(4-methylbenzenesulfonyl)piperazin-1-yl]-3-(1H-1,2,4-triazol-1-yl)propan-1-one is 363.14 g/mol.
Where can I buy 1-[4-(4-methylbenzenesulfonyl)piperazin-1-yl]-3-(1H-1,2,4-triazol-1-yl)propan-1-one?
You can request a quote for 1-[4-(4-methylbenzenesulfonyl)piperazin-1-yl]-3-(1H-1,2,4-triazol-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 1-[4-(4-methylbenzenesulfonyl)piperazin-1-yl]-3-(1H-1,2,4-triazol-1-yl)propan-1-one?
Yes, KEHONG BIO provides custom synthesis services for 1-[4-(4-methylbenzenesulfonyl)piperazin-1-yl]-3-(1H-1,2,4-triazol-1-yl)propan-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.