N-(phenylacetyl)glycylaziridine-2-carboxylate phenylmethyl ester
TL;DR: N-(phenylacetyl)glycylaziridine-2-carboxylate phenylmethyl ester (CAS 133099-77-1) is a chemical compound with molecular formula C20H20N2O4 and molecular weight 352.1423 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
benzyl (2R)-1-[2-[(2-phenylacetyl)amino]acetyl]aziridine-2-carboxylate
Also Known As: PAGAC, N-(Phenylacetyl)glycylaziridine-2-carboxylate phenylmethyl ester, N-(Phenylacetyl)glycyl-D-aziridine-2-carboxylic acid, N- glycylaziridine-2-carboxylatephenylmethylester, (S)-2,2-diphenyl-2-(pyrrolidin-3-yl)acetonitrile
Technical Specifications
| Molecular Formula | C20H20N2O4 |
| Molecular Weight | 352.1423 g/mol |
| XLogP | 1.9 |
| Topological Polar Surface Area (TPSA) | 75.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 352.1423 Da |
| Heavy Atoms | 26 |
| Complexity | 510.0 |
| SMILES | C1[C@@H](N1C(=O)CNC(=O)CC2=CC=CC=C2)C(=O)OCC3=CC=CC=C3 |
| InChIKey | NNRHJUXYZHLCOX-PLEWWHCXSA-N |
Chemical Property Profile of N-(phenylacetyl)glycylaziridine-2-carboxylate phenylmethyl ester
Property Insights of N-(phenylacetyl)glycylaziridine-2-carboxylate phenylmethyl ester
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(phenylacetyl)glycylaziridine-2-carboxylate phenylmethyl ester. The TPSA of 75.5 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(phenylacetyl)glycylaziridine-2-carboxylate phenylmethyl ester. Following Lipinski's Rule of Five, N-(phenylacetyl)glycylaziridine-2-carboxylate phenylmethyl ester has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of N-(phenylacetyl)glycylaziridine-2-carboxylate phenylmethyl ester?
The CAS number of N-(phenylacetyl)glycylaziridine-2-carboxylate phenylmethyl ester is 133099-77-1.
What is the molecular formula of N-(phenylacetyl)glycylaziridine-2-carboxylate phenylmethyl ester?
The molecular formula of N-(phenylacetyl)glycylaziridine-2-carboxylate phenylmethyl ester is C20H20N2O4.
What is the molecular weight of N-(phenylacetyl)glycylaziridine-2-carboxylate phenylmethyl ester?
The molecular weight of N-(phenylacetyl)glycylaziridine-2-carboxylate phenylmethyl ester is 352.1423 g/mol.
Where can I buy N-(phenylacetyl)glycylaziridine-2-carboxylate phenylmethyl ester?
You can request a quote for N-(phenylacetyl)glycylaziridine-2-carboxylate phenylmethyl ester directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for N-(phenylacetyl)glycylaziridine-2-carboxylate phenylmethyl ester?
Yes, CoreyChem provides custom synthesis services for N-(phenylacetyl)glycylaziridine-2-carboxylate phenylmethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.