![3-{4-[(4-Methylphenyl)sulfonyl]-1-piperazinyl}propanoic acid structure](/static/products/748/748086-32-0.png)
3-{4-[(4-Methylphenyl)sulfonyl]-1-piperazinyl}propanoic acid
TL;DR: 3-{4-[(4-Methylphenyl)sulfonyl]-1-piperazinyl}propanoic acid (CAS 748086-32-0) is a chemical compound with molecular formula C14H20N2O4S and molecular weight 312.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]propanoic acid
Also Known As: 3-(4-Tosylpiperazin-1-yl)propanoic acid, 3-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]propanoic Acid, 3-{4-[(4-methylphenyl)sulfonyl]-1-piperazinyl}propanoic acid
| Molecular Formula | C14H20N2O4S |
|---|---|
| Molecular Weight | 312.11 g/mol |
| LogP | 0.77602 |
| Topological Polar Surface Area | 77.92 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 312.11438 |
| Heavy Atoms | 21 |
| Complexity | 589.90497 |
Chemical Identifiers
| CAS Number | 748086-32-0 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)CCC(=O)O |
Product Overview
3-{4-[(4-Methylphenyl)sulfonyl]-1-piperazinyl}propanoic acid (CAS 748086-32-0), with molecular formula C14H20N2O4S and molecular weight 312.11 g/mol. IUPAC: 3-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]propanoic acid.
Chemical Property Profile of 3-{4-[(4-Methylphenyl)sulfonyl]-1-piperazinyl}propanoic acid
Property Insights of 3-{4-[(4-Methylphenyl)sulfonyl]-1-piperazinyl}propanoic acid
The XLogP value of 0.77602 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-{4-[(4-Methylphenyl)sulfonyl]-1-piperazinyl}propanoic acid. The TPSA of 77.92 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-{4-[(4-Methylphenyl)sulfonyl]-1-piperazinyl}propanoic acid. Following Lipinski's Rule of Five, 3-{4-[(4-Methylphenyl)sulfonyl]-1-piperazinyl}propanoic acid has 1 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-{4-[(4-Methylphenyl)sulfonyl]-1-piperazinyl}propanoic acid?
The CAS number of 3-{4-[(4-Methylphenyl)sulfonyl]-1-piperazinyl}propanoic acid is 748086-32-0.
What is the molecular formula of 3-{4-[(4-Methylphenyl)sulfonyl]-1-piperazinyl}propanoic acid?
The molecular formula of 3-{4-[(4-Methylphenyl)sulfonyl]-1-piperazinyl}propanoic acid is C14H20N2O4S.
What is the molecular weight of 3-{4-[(4-Methylphenyl)sulfonyl]-1-piperazinyl}propanoic acid?
The molecular weight of 3-{4-[(4-Methylphenyl)sulfonyl]-1-piperazinyl}propanoic acid is 312.11 g/mol.
Where can I buy 3-{4-[(4-Methylphenyl)sulfonyl]-1-piperazinyl}propanoic acid?
You can request a quote for 3-{4-[(4-Methylphenyl)sulfonyl]-1-piperazinyl}propanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-{4-[(4-Methylphenyl)sulfonyl]-1-piperazinyl}propanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-{4-[(4-Methylphenyl)sulfonyl]-1-piperazinyl}propanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.