Benzyl 2-((3,4-dihydroxyphenethyl)carbamoyl)pyrrolidine-1-carboxylate
TL;DR: Benzyl 2-((3,4-dihydroxyphenethyl)carbamoyl)pyrrolidine-1-carboxylate (CAS 1219418-30-0) is a chemical compound with molecular formula C21H24N2O5 and molecular weight 384.16852 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
benzyl 2-[2-(3,4-dihydroxyphenyl)ethylcarbamoyl]pyrrolidine-1-carboxylate
Also Known As: benzyl 2-((3,4-dihydroxyphenethyl)carbamoyl)pyrrolidine-1-carboxylate, benzyl 2-[2-(3,4-dihydroxyphenyl)ethylcarbamoyl]pyrrolidine-1-carboxylate
Technical Specifications
| Molecular Formula | C21H24N2O5 |
| Molecular Weight | 384.16852 g/mol |
| XLogP | 2.7 |
| Topological Polar Surface Area (TPSA) | 99.1 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 384.16852 Da |
| Heavy Atoms | 28 |
| Complexity | 523.0 |
| SMILES | C1CC(N(C1)C(=O)OCC2=CC=CC=C2)C(=O)NCCC3=CC(=C(C=C3)O)O |
| InChIKey | KQWDHIHKJKYIMV-UHFFFAOYSA-N |
Chemical Property Profile of Benzyl 2-((3,4-dihydroxyphenethyl)carbamoyl)pyrrolidine-1-carboxylate
Property Insights of Benzyl 2-((3,4-dihydroxyphenethyl)carbamoyl)pyrrolidine-1-carboxylate
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzyl 2-((3,4-dihydroxyphenethyl)carbamoyl)pyrrolidine-1-carboxylate. The TPSA of 99.1 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzyl 2-((3,4-dihydroxyphenethyl)carbamoyl)pyrrolidine-1-carboxylate. Following Lipinski's Rule of Five, Benzyl 2-((3,4-dihydroxyphenethyl)carbamoyl)pyrrolidine-1-carboxylate has 3 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Benzyl 2-((3,4-dihydroxyphenethyl)carbamoyl)pyrrolidine-1-carboxylate?
The CAS number of Benzyl 2-((3,4-dihydroxyphenethyl)carbamoyl)pyrrolidine-1-carboxylate is 1219418-30-0.
What is the molecular formula of Benzyl 2-((3,4-dihydroxyphenethyl)carbamoyl)pyrrolidine-1-carboxylate?
The molecular formula of Benzyl 2-((3,4-dihydroxyphenethyl)carbamoyl)pyrrolidine-1-carboxylate is C21H24N2O5.
What is the molecular weight of Benzyl 2-((3,4-dihydroxyphenethyl)carbamoyl)pyrrolidine-1-carboxylate?
The molecular weight of Benzyl 2-((3,4-dihydroxyphenethyl)carbamoyl)pyrrolidine-1-carboxylate is 384.16852 g/mol.
Where can I buy Benzyl 2-((3,4-dihydroxyphenethyl)carbamoyl)pyrrolidine-1-carboxylate?
You can request a quote for Benzyl 2-((3,4-dihydroxyphenethyl)carbamoyl)pyrrolidine-1-carboxylate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Benzyl 2-((3,4-dihydroxyphenethyl)carbamoyl)pyrrolidine-1-carboxylate?
Yes, CoreyChem provides custom synthesis services for Benzyl 2-((3,4-dihydroxyphenethyl)carbamoyl)pyrrolidine-1-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.