N-Carbomethoxycarbonyl-prolyl-phenylalanyl-benzyl ester
TL;DR: N-Carbomethoxycarbonyl-prolyl-phenylalanyl-benzyl ester (CAS 129987-97-9) is a chemical compound with molecular formula C24H26N2O6 and molecular weight 438.17908 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
benzyl (2S)-2-[[(2S)-1-(2-methoxy-2-oxoacetyl)pyrrolidine-2-carbonyl]amino]-3-phenylpropanoate
Also Known As: Cpf ester, CPF(LL), Carbomethoxycarbonyl-Pro-Phe-OBzl, N-Carbomethoxycarbonyl-prolyl-phenylalanyl-benzyl ester, N-Carbomethoxycarbonyl-pro-phe-benzyl ester
Technical Specifications
| Molecular Formula | C24H26N2O6 |
| Molecular Weight | 438.17908 g/mol |
| XLogP | 3.3 |
| Topological Polar Surface Area (TPSA) | 102.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 10 |
| Exact Mass | 438.17908 Da |
| Heavy Atoms | 32 |
| Complexity | 669.0 |
| SMILES | COC(=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC2=CC=CC=C2)C(=O)OCC3=CC=CC=C3 |
| InChIKey | DQPXNIBWDJBVFH-PMACEKPBSA-N |
Chemical Property Profile of N-Carbomethoxycarbonyl-prolyl-phenylalanyl-benzyl ester
Property Insights of N-Carbomethoxycarbonyl-prolyl-phenylalanyl-benzyl ester
The XLogP value of 3.3 indicates that N-Carbomethoxycarbonyl-prolyl-phenylalanyl-benzyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 102.0 Ų falls within the moderate polarity range, balancing permeability and solubility for N-Carbomethoxycarbonyl-prolyl-phenylalanyl-benzyl ester. Following Lipinski's Rule of Five, N-Carbomethoxycarbonyl-prolyl-phenylalanyl-benzyl ester has 1 hydrogen bond donor(s) and 6 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-Carbomethoxycarbonyl-prolyl-phenylalanyl-benzyl ester?
The CAS number of N-Carbomethoxycarbonyl-prolyl-phenylalanyl-benzyl ester is 129987-97-9.
What is the molecular formula of N-Carbomethoxycarbonyl-prolyl-phenylalanyl-benzyl ester?
The molecular formula of N-Carbomethoxycarbonyl-prolyl-phenylalanyl-benzyl ester is C24H26N2O6.
What is the molecular weight of N-Carbomethoxycarbonyl-prolyl-phenylalanyl-benzyl ester?
The molecular weight of N-Carbomethoxycarbonyl-prolyl-phenylalanyl-benzyl ester is 438.17908 g/mol.
Where can I buy N-Carbomethoxycarbonyl-prolyl-phenylalanyl-benzyl ester?
You can request a quote for N-Carbomethoxycarbonyl-prolyl-phenylalanyl-benzyl ester directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for N-Carbomethoxycarbonyl-prolyl-phenylalanyl-benzyl ester?
Yes, CoreyChem provides custom synthesis services for N-Carbomethoxycarbonyl-prolyl-phenylalanyl-benzyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.