Z-Asn-Phe-psi (CH(OH)CH2N)Pro-OtBu
TL;DR: Z-Asn-Phe-psi (CH(OH)CH2N)Pro-OtBu (CAS 127749-91-1) is a chemical compound with molecular formula C31H42N4O7 and molecular weight 582.31 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
tert-butyl (2S)-1-[(2R,3S)-3-[[(2S)-4-amino-4-oxo-2-(phenylmethoxycarbonylamino)butanoyl]amino]-2-hydroxy-4-phenylbutyl]pyrrolidine-2-carboxylate
Also Known As: Hydroxyethylamine deriv., Z-Asn-Phe-psi (CH(OH)CH2N)Pro-OtBu, Z-Asn-Phe-psi [CH(OH)CH2N]Pro-OtBu, Benzyoxycarbonyl-Asn-Phe-[R]-[CH(OH)CH2N]Pro-Otert-butyl, tert-Butyl (2S)-1-(3-((2S)-3-carbamoyl-2-((phenylmethoxy)carbonylamino)propanoylamino)(3S,2R)-2-hydroxy-4-phenylbutyl)pyrrolidine-2-carboxylate
| Molecular Formula | C31H42N4O7 |
|---|---|
| Molecular Weight | 582.31 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 160.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 16 |
| Exact Mass | 582.30536 |
| Heavy Atoms | 42 |
| Complexity | 896.0 |
Chemical Identifiers
| CAS Number | 127749-91-1 |
|---|---|
| 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)OCC3=CC=CC=C3)O |
| InChIKey | UYYUHWSVKOGLPA-ASDGIDEWSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Z-Asn-Phe-psi (CH(OH)CH2N)Pro-OtBu (CAS 127749-91-1), with molecular formula C31H42N4O7 and molecular weight 582.31 g/mol. IUPAC: tert-butyl (2S)-1-[(2R,3S)-3-[[(2S)-4-amino-4-oxo-2-(phenylmethoxycarbonylamino)butanoyl]amino]-2-hydroxy-4-phenylbutyl]pyrrolidine-2-carboxylate.
Chemical Property Profile of Z-Asn-Phe-psi (CH(OH)CH2N)Pro-OtBu
Property Insights of Z-Asn-Phe-psi (CH(OH)CH2N)Pro-OtBu
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Z-Asn-Phe-psi (CH(OH)CH2N)Pro-OtBu. The TPSA of 160.0 Ų indicates high polarity, suggesting Z-Asn-Phe-psi (CH(OH)CH2N)Pro-OtBu may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Z-Asn-Phe-psi (CH(OH)CH2N)Pro-OtBu has 4 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Z-Asn-Phe-psi (CH(OH)CH2N)Pro-OtBu?
The CAS number of Z-Asn-Phe-psi (CH(OH)CH2N)Pro-OtBu is 127749-91-1.
What is the molecular formula of Z-Asn-Phe-psi (CH(OH)CH2N)Pro-OtBu?
The molecular formula of Z-Asn-Phe-psi (CH(OH)CH2N)Pro-OtBu is C31H42N4O7.
What is the molecular weight of Z-Asn-Phe-psi (CH(OH)CH2N)Pro-OtBu?
The molecular weight of Z-Asn-Phe-psi (CH(OH)CH2N)Pro-OtBu is 582.31 g/mol.
Where can I buy Z-Asn-Phe-psi (CH(OH)CH2N)Pro-OtBu?
You can request a quote for Z-Asn-Phe-psi (CH(OH)CH2N)Pro-OtBu directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Z-Asn-Phe-psi (CH(OH)CH2N)Pro-OtBu?
Yes, KEHONG BIO provides custom synthesis services for Z-Asn-Phe-psi (CH(OH)CH2N)Pro-OtBu and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.