5-Phenyl-2,4-pyrrolidinedicarboxylic acid
TL;DR: 5-Phenyl-2,4-pyrrolidinedicarboxylic acid (CAS 117835-08-2) is a chemical compound with molecular formula C12H13NO4 and molecular weight 235.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-phenylpyrrolidine-2,4-dicarboxylic acid
Also Known As: 5-phenylpyrrolidine-2,4-dicarboxylic Acid, 5-PHENYL-2,4-PYRROLIDINEDICARBOXYLIC ACID, 2,4-Pyrrolidinedicarboxylicacid, 5-phenyl-, 1-METHYL-1H-BENZIMIDAZOL-6-AMINE
| Molecular Formula | C12H13NO4 |
|---|---|
| Molecular Weight | 235.08 g/mol |
| LogP | 0.875 |
| Topological Polar Surface Area | 86.63 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 235.08446 |
| Heavy Atoms | 17 |
| Complexity | 431.39157 |
Chemical Identifiers
| CAS Number | 117835-08-2 |
|---|---|
| SMILES | C1C(C(NC1C(=O)O)C2=CC=CC=C2)C(=O)O |
Product Overview
5-Phenyl-2,4-pyrrolidinedicarboxylic acid (CAS 117835-08-2), with molecular formula C12H13NO4 and molecular weight 235.08 g/mol. IUPAC: 5-phenylpyrrolidine-2,4-dicarboxylic acid.
Chemical Property Profile of 5-Phenyl-2,4-pyrrolidinedicarboxylic acid
Property Insights of 5-Phenyl-2,4-pyrrolidinedicarboxylic acid
The XLogP value of 0.875 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Phenyl-2,4-pyrrolidinedicarboxylic acid. The TPSA of 86.63 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-Phenyl-2,4-pyrrolidinedicarboxylic acid. Following Lipinski's Rule of Five, 5-Phenyl-2,4-pyrrolidinedicarboxylic acid has 3 hydrogen bond donor(s) and 3 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 5-Phenyl-2,4-pyrrolidinedicarboxylic acid?
The CAS number of 5-Phenyl-2,4-pyrrolidinedicarboxylic acid is 117835-08-2.
What is the molecular formula of 5-Phenyl-2,4-pyrrolidinedicarboxylic acid?
The molecular formula of 5-Phenyl-2,4-pyrrolidinedicarboxylic acid is C12H13NO4.
What is the molecular weight of 5-Phenyl-2,4-pyrrolidinedicarboxylic acid?
The molecular weight of 5-Phenyl-2,4-pyrrolidinedicarboxylic acid is 235.08 g/mol.
Where can I buy 5-Phenyl-2,4-pyrrolidinedicarboxylic acid?
You can request a quote for 5-Phenyl-2,4-pyrrolidinedicarboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Phenyl-2,4-pyrrolidinedicarboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 5-Phenyl-2,4-pyrrolidinedicarboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.