![2-{2-Oxo-2-[4-(phenylsulfonyl)piperazinyl]ethylthio}acetic acid structure](/static/products/796/796083-77-7.png)
2-{2-Oxo-2-[4-(phenylsulfonyl)piperazinyl]ethylthio}acetic acid
TL;DR: 2-{2-Oxo-2-[4-(phenylsulfonyl)piperazinyl]ethylthio}acetic acid (CAS 796083-77-7) is a chemical compound with molecular formula C14H18N2O5S2 and molecular weight 358.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2-[4-(benzenesulfonyl)piperazin-1-yl]-2-oxoethyl]sulfanylacetic acid
Also Known As: 2-{2-oxo-2-[4-(phenylsulfonyl)piperazinyl]ethylthio}acetic acid, ({2-oxo-2-[4-(phenylsulfonyl)piperazin-1-yl]ethyl}sulfanyl)acetic acid, 2-[2-[4-(benzenesulfonyl)piperazin-1-yl]-2-oxo-ethyl]sulfanylacetic Acid, 2-[2-[4-(benzenesulfonyl)piperazin-1-yl]-2-oxoethyl]sulfanylacetic acid
| Molecular Formula | C14H18N2O5S2 |
|---|---|
| Molecular Weight | 358.07 g/mol |
| LogP | 0.3373 |
| Topological Polar Surface Area | 94.99 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 358.0657 |
| Heavy Atoms | 23 |
| Complexity | 655.005 |
Chemical Identifiers
| CAS Number | 796083-77-7 |
|---|---|
| SMILES | C1CN(CCN1C(=O)CSCC(=O)O)S(=O)(=O)C2=CC=CC=C2 |
Product Overview
2-{2-Oxo-2-[4-(phenylsulfonyl)piperazinyl]ethylthio}acetic acid (CAS 796083-77-7), with molecular formula C14H18N2O5S2 and molecular weight 358.07 g/mol. IUPAC: 2-[2-[4-(benzenesulfonyl)piperazin-1-yl]-2-oxoethyl]sulfanylacetic acid.
Chemical Property Profile of 2-{2-Oxo-2-[4-(phenylsulfonyl)piperazinyl]ethylthio}acetic acid
Property Insights of 2-{2-Oxo-2-[4-(phenylsulfonyl)piperazinyl]ethylthio}acetic acid
The XLogP value of 0.3373 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-{2-Oxo-2-[4-(phenylsulfonyl)piperazinyl]ethylthio}acetic acid. The TPSA of 94.99 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-{2-Oxo-2-[4-(phenylsulfonyl)piperazinyl]ethylthio}acetic acid. Following Lipinski's Rule of Five, 2-{2-Oxo-2-[4-(phenylsulfonyl)piperazinyl]ethylthio}acetic acid has 1 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 2-{2-Oxo-2-[4-(phenylsulfonyl)piperazinyl]ethylthio}acetic acid?
The CAS number of 2-{2-Oxo-2-[4-(phenylsulfonyl)piperazinyl]ethylthio}acetic acid is 796083-77-7.
What is the molecular formula of 2-{2-Oxo-2-[4-(phenylsulfonyl)piperazinyl]ethylthio}acetic acid?
The molecular formula of 2-{2-Oxo-2-[4-(phenylsulfonyl)piperazinyl]ethylthio}acetic acid is C14H18N2O5S2.
What is the molecular weight of 2-{2-Oxo-2-[4-(phenylsulfonyl)piperazinyl]ethylthio}acetic acid?
The molecular weight of 2-{2-Oxo-2-[4-(phenylsulfonyl)piperazinyl]ethylthio}acetic acid is 358.07 g/mol.
Where can I buy 2-{2-Oxo-2-[4-(phenylsulfonyl)piperazinyl]ethylthio}acetic acid?
You can request a quote for 2-{2-Oxo-2-[4-(phenylsulfonyl)piperazinyl]ethylthio}acetic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-{2-Oxo-2-[4-(phenylsulfonyl)piperazinyl]ethylthio}acetic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-{2-Oxo-2-[4-(phenylsulfonyl)piperazinyl]ethylthio}acetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.