2NaphCOAsnPhe(CHOHCH2)Pro-OtBu
TL;DR: 2NaphCOAsnPhe(CHOHCH2)Pro-OtBu (CAS 127749-96-6) is a chemical compound with molecular formula C34H42N4O6 and molecular weight 602.3104 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
tert-butyl (2S)-1-[(2R,3S)-3-[[(2S)-4-amino-2-(naphthalene-2-carbonylamino)-4-oxobutanoyl]amino]-2-hydroxy-4-phenylbutyl]pyrrolidine-2-carboxylate
Also Known As: 2NaphCOAsnPhe(CHOHCH2)Pro-OtBu, 2NaphCOAsnPhe[CHOHCH2]Pro-OtBu, (2-Naphthalcarbonyl)Asn(decarbonylPhe-hydroxyethyl)ProOtertButyl, L-Proline, 1-(3-((4-amino-2-((2-naphthalenylcarbonyl)amino)-1,4-dioxobutyl)amino)-2-hydroxy-4-phenylbutyl)-, 1,1-dimethylethyl ester, (2R-(2R*,3S*(S*)))-, (2-Naphthalcarbonyl)Asn[decarbonylPhe-hydroxyethyl]ProOtertButyl
Application Areas
Top 5 of 2 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C34H42N4O6 |
| Molecular Weight | 602.3104 g/mol |
| XLogP | 3.5 |
| Topological Polar Surface Area (TPSA) | 151.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 14 |
| Exact Mass | 602.3104 Da |
| Heavy Atoms | 44 |
| Complexity | 993.0 |
| SMILES | CC(C)(C)OC(=O)[C@@H]1CCCN1C[C@H]([C@H](CC2=CC=CC=C2)NC(=O)[C@H](CC(=O)N)NC(=O)C3=CC4=CC=CC=C4C=C3)O |
| InChIKey | KOLLFWOTBZCTDF-XFTNXAEASA-N |
Chemical Property Profile of 2NaphCOAsnPhe(CHOHCH2)Pro-OtBu
Property Insights of 2NaphCOAsnPhe(CHOHCH2)Pro-OtBu
The XLogP value of 3.5 indicates that 2NaphCOAsnPhe(CHOHCH2)Pro-OtBu is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 151.0 Ų indicates high polarity, suggesting 2NaphCOAsnPhe(CHOHCH2)Pro-OtBu may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 2NaphCOAsnPhe(CHOHCH2)Pro-OtBu has 4 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of 2NaphCOAsnPhe(CHOHCH2)Pro-OtBu?
The CAS number of 2NaphCOAsnPhe(CHOHCH2)Pro-OtBu is 127749-96-6.
What is the molecular formula of 2NaphCOAsnPhe(CHOHCH2)Pro-OtBu?
The molecular formula of 2NaphCOAsnPhe(CHOHCH2)Pro-OtBu is C34H42N4O6.
What is the molecular weight of 2NaphCOAsnPhe(CHOHCH2)Pro-OtBu?
The molecular weight of 2NaphCOAsnPhe(CHOHCH2)Pro-OtBu is 602.3104 g/mol.
Where can I buy 2NaphCOAsnPhe(CHOHCH2)Pro-OtBu?
You can request a quote for 2NaphCOAsnPhe(CHOHCH2)Pro-OtBu directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2NaphCOAsnPhe(CHOHCH2)Pro-OtBu?
Yes, CoreyChem provides custom synthesis services for 2NaphCOAsnPhe(CHOHCH2)Pro-OtBu and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.