1-((4-Methylphenyl)sulfonyl)-5-oxoproline
TL;DR: 1-((4-Methylphenyl)sulfonyl)-5-oxoproline (CAS 6970-25-8) is a chemical compound with molecular formula C12H13NO5S and molecular weight 283.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-methylphenyl)sulfonyl-5-oxopyrrolidine-2-carboxylic acid
Also Known As: starbld0007486, 5-Oxo-1-tosylpyrrolidine-2-carboxylic acid, 1-[(4-methylphenyl)sulfonyl]-5-oxoproline, proline, 1-[(4-methylphenyl)sulfonyl]-5-oxo-, 5-Oxo-1-((p-tolyl)sulphonyl)-L-proline
| Molecular Formula | C12H13NO5S |
|---|---|
| Molecular Weight | 283.05 g/mol |
| LogP | 0.9 |
| Topological Polar Surface Area | 100.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 283.05145 |
| Heavy Atoms | 19 |
| Complexity | 473.0 |
Chemical Identifiers
| CAS Number | 6970-25-8 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)N2C(CCC2=O)C(=O)O |
| InChIKey | AIQSXWLOKKCHFH-UHFFFAOYSA-N |
Product Overview
1-((4-Methylphenyl)sulfonyl)-5-oxoproline (CAS 6970-25-8), with molecular formula C12H13NO5S and molecular weight 283.05 g/mol. IUPAC: 1-(4-methylphenyl)sulfonyl-5-oxopyrrolidine-2-carboxylic acid.
Chemical Property Profile of 1-((4-Methylphenyl)sulfonyl)-5-oxoproline
Property Insights of 1-((4-Methylphenyl)sulfonyl)-5-oxoproline
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-((4-Methylphenyl)sulfonyl)-5-oxoproline. The TPSA of 100.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-((4-Methylphenyl)sulfonyl)-5-oxoproline. Following Lipinski's Rule of Five, 1-((4-Methylphenyl)sulfonyl)-5-oxoproline 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 1-((4-Methylphenyl)sulfonyl)-5-oxoproline?
The CAS number of 1-((4-Methylphenyl)sulfonyl)-5-oxoproline is 6970-25-8.
What is the molecular formula of 1-((4-Methylphenyl)sulfonyl)-5-oxoproline?
The molecular formula of 1-((4-Methylphenyl)sulfonyl)-5-oxoproline is C12H13NO5S.
What is the molecular weight of 1-((4-Methylphenyl)sulfonyl)-5-oxoproline?
The molecular weight of 1-((4-Methylphenyl)sulfonyl)-5-oxoproline is 283.05 g/mol.
Where can I buy 1-((4-Methylphenyl)sulfonyl)-5-oxoproline?
You can request a quote for 1-((4-Methylphenyl)sulfonyl)-5-oxoproline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-((4-Methylphenyl)sulfonyl)-5-oxoproline?
Yes, KEHONG BIO provides custom synthesis services for 1-((4-Methylphenyl)sulfonyl)-5-oxoproline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.