Z.Phepsi(CH(OH)CH2N)Pro-O-tert-Bu
TL;DR: Z.Phepsi(CH(OH)CH2N)Pro-O-tert-Bu (CAS 127749-90-0) is a chemical compound with molecular formula C27H36N2O5 and molecular weight 468.26 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
tert-butyl (2S)-1-[(2R,3S)-2-hydroxy-4-phenyl-3-(phenylmethoxycarbonylamino)butyl]pyrrolidine-2-carboxylate
Also Known As: Z.Phepsi(CH(OH)CH2N)Pro-O-tert-Bu, Z.Phe.psi.[CH(OH)CH2N]Pro-O-tert-Bu, L-Proline, 1-(2-hydroxy-4-phenyl-3-(((phenylmethoxy)carbonyl)amino)butyl)-, 1,1-dimethylethyl ester, (R-(R*,S*))-, tert-Butyl (2S)-1-((3S,2R)-2-hydroxy-4-phenyl-3-((phenylmethoxy)carbonylamino)butyl)pyrrolidine-2-carboxylate, tert-Butyl 1-[(2R,3S)-3-{[(benzyloxy)carbonyl]amino}-2-hydroxy-4-phenylbutyl]-L-prolinate
| Molecular Formula | C27H36N2O5 |
|---|---|
| Molecular Weight | 468.26 g/mol |
| LogP | 4.3 |
| Topological Polar Surface Area | 88.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 12 |
| Exact Mass | 468.26242 |
| Heavy Atoms | 34 |
| Complexity | 637.0 |
Chemical Identifiers
| CAS Number | 127749-90-0 |
|---|---|
| SMILES | CC(C)(C)OC(=O)[C@@H]1CCCN1C[C@H]([C@H](CC2=CC=CC=C2)NC(=O)OCC3=CC=CC=C3)O |
| InChIKey | XKUVIMUEIJTDOA-KMDXXIMOSA-N |
Product Overview
Z.Phepsi(CH(OH)CH2N)Pro-O-tert-Bu (CAS 127749-90-0), with molecular formula C27H36N2O5 and molecular weight 468.26 g/mol. IUPAC: tert-butyl (2S)-1-[(2R,3S)-2-hydroxy-4-phenyl-3-(phenylmethoxycarbonylamino)butyl]pyrrolidine-2-carboxylate.
Chemical Property Profile of Z.Phepsi(CH(OH)CH2N)Pro-O-tert-Bu
Property Insights of Z.Phepsi(CH(OH)CH2N)Pro-O-tert-Bu
The XLogP value of 4.3 indicates that Z.Phepsi(CH(OH)CH2N)Pro-O-tert-Bu is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 88.1 Ų falls within the moderate polarity range, balancing permeability and solubility for Z.Phepsi(CH(OH)CH2N)Pro-O-tert-Bu. Following Lipinski's Rule of Five, Z.Phepsi(CH(OH)CH2N)Pro-O-tert-Bu has 2 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Z.Phepsi(CH(OH)CH2N)Pro-O-tert-Bu?
The CAS number of Z.Phepsi(CH(OH)CH2N)Pro-O-tert-Bu is 127749-90-0.
What is the molecular formula of Z.Phepsi(CH(OH)CH2N)Pro-O-tert-Bu?
The molecular formula of Z.Phepsi(CH(OH)CH2N)Pro-O-tert-Bu is C27H36N2O5.
What is the molecular weight of Z.Phepsi(CH(OH)CH2N)Pro-O-tert-Bu?
The molecular weight of Z.Phepsi(CH(OH)CH2N)Pro-O-tert-Bu is 468.26 g/mol.
Where can I buy Z.Phepsi(CH(OH)CH2N)Pro-O-tert-Bu?
You can request a quote for Z.Phepsi(CH(OH)CH2N)Pro-O-tert-Bu directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Z.Phepsi(CH(OH)CH2N)Pro-O-tert-Bu?
Yes, KEHONG BIO provides custom synthesis services for Z.Phepsi(CH(OH)CH2N)Pro-O-tert-Bu and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.