![1-{4-[(Methoxycarbonyl)amino]benzenesulfonyl}pyrrolidine-2-carboxylic acid structure](/static/products/1008/1008946-47-1.webp)
1-{4-[(Methoxycarbonyl)amino]benzenesulfonyl}pyrrolidine-2-carboxylic acid
TL;DR: 1-{4-[(Methoxycarbonyl)amino]benzenesulfonyl}pyrrolidine-2-carboxylic acid (CAS 1008946-47-1) is a chemical compound with molecular formula C13H16N2O6S and molecular weight 328.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[4-(methoxycarbonylamino)phenyl]sulfonylpyrrolidine-2-carboxylic acid
Also Known As: 1-{4-[(methoxycarbonyl)amino]benzenesulfonyl}pyrrolidine-2-carboxylic acid, 1-[4-(methoxycarbonylamino)phenyl]sulfonylpyrrolidine-2-carboxylic Acid, 1-({4-[(methoxycarbonyl)amino]phenyl}sulfonyl)proline, 1-({4-[(METHOXYCARBONYL)AMINO]PHENYL}SULFONYL)PYRROLIDINE-2-CARBOXYLIC ACID, 1-{[4-(methoxycarbonylamino)phenyl]sulfonyl}pyrrolidine-2-carboxylic acid
| Molecular Formula | C13H16N2O6S |
|---|---|
| Molecular Weight | 328.07 g/mol |
| LogP | 1.1026 |
| Topological Polar Surface Area | 113.01 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 328.0729 |
| Heavy Atoms | 22 |
| Complexity | 670.27563 |
Chemical Identifiers
| CAS Number | 1008946-47-1 |
|---|---|
| SMILES | COC(=O)NC1=CC=C(C=C1)S(=O)(=O)N2CCCC2C(=O)O |
Product Overview
1-{4-[(Methoxycarbonyl)amino]benzenesulfonyl}pyrrolidine-2-carboxylic acid (CAS 1008946-47-1), with molecular formula C13H16N2O6S and molecular weight 328.07 g/mol. IUPAC: 1-[4-(methoxycarbonylamino)phenyl]sulfonylpyrrolidine-2-carboxylic acid.
Chemical Property Profile of 1-{4-[(Methoxycarbonyl)amino]benzenesulfonyl}pyrrolidine-2-carboxylic acid
Property Insights of 1-{4-[(Methoxycarbonyl)amino]benzenesulfonyl}pyrrolidine-2-carboxylic acid
The XLogP value of 1.1026 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-{4-[(Methoxycarbonyl)amino]benzenesulfonyl}pyrrolidine-2-carboxylic acid. The TPSA of 113.01 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-{4-[(Methoxycarbonyl)amino]benzenesulfonyl}pyrrolidine-2-carboxylic acid. Following Lipinski's Rule of Five, 1-{4-[(Methoxycarbonyl)amino]benzenesulfonyl}pyrrolidine-2-carboxylic acid has 2 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-[(Methoxycarbonyl)amino]benzenesulfonyl}pyrrolidine-2-carboxylic acid?
The CAS number of 1-{4-[(Methoxycarbonyl)amino]benzenesulfonyl}pyrrolidine-2-carboxylic acid is 1008946-47-1.
What is the molecular formula of 1-{4-[(Methoxycarbonyl)amino]benzenesulfonyl}pyrrolidine-2-carboxylic acid?
The molecular formula of 1-{4-[(Methoxycarbonyl)amino]benzenesulfonyl}pyrrolidine-2-carboxylic acid is C13H16N2O6S.
What is the molecular weight of 1-{4-[(Methoxycarbonyl)amino]benzenesulfonyl}pyrrolidine-2-carboxylic acid?
The molecular weight of 1-{4-[(Methoxycarbonyl)amino]benzenesulfonyl}pyrrolidine-2-carboxylic acid is 328.07 g/mol.
Where can I buy 1-{4-[(Methoxycarbonyl)amino]benzenesulfonyl}pyrrolidine-2-carboxylic acid?
You can request a quote for 1-{4-[(Methoxycarbonyl)amino]benzenesulfonyl}pyrrolidine-2-carboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-{4-[(Methoxycarbonyl)amino]benzenesulfonyl}pyrrolidine-2-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 1-{4-[(Methoxycarbonyl)amino]benzenesulfonyl}pyrrolidine-2-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.