N(alpha)-((2-phenylethyl)phenoxyphosphoryl)alanylproline
TL;DR: N(alpha)-((2-phenylethyl)phenoxyphosphoryl)alanylproline (CAS 97280-48-3) is a chemical compound with molecular formula C22H27N2O5P and molecular weight 430.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S)-1-[(2R)-2-[[phenoxy(2-phenylethyl)phosphoryl]amino]propanoyl]pyrrolidine-2-carboxylic acid
Also Known As: Ppp-ala-pro, N(alpha)-((2-Phenylethyl)phenoxyphosphoryl)alanylproline, N(alpha)-((2-Phenylethyl)phenoxyphosphoryl)-L-alanyl-L-proline, N-[Phenoxy(2-phenylethyl)phosphoryl]alanylproline, N-[Phenoxy(2-phenylethyl)phosphoryl]-D-alanyl-L-proline
| Molecular Formula | C22H27N2O5P |
|---|---|
| Molecular Weight | 430.17 g/mol |
| LogP | 3.5549 |
| Topological Polar Surface Area | 95.94 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 9 |
| Exact Mass | 430.16577 |
| Heavy Atoms | 30 |
| Complexity | 906.2586 |
Chemical Identifiers
| CAS Number | 97280-48-3 |
|---|---|
| SMILES | C[C@H](C(=O)N1CCC[C@H]1C(=O)O)NP(=O)(CCC2=CC=CC=C2)OC3=CC=CC=C3 |
Product Overview
N(alpha)-((2-phenylethyl)phenoxyphosphoryl)alanylproline (CAS 97280-48-3), with molecular formula C22H27N2O5P and molecular weight 430.17 g/mol. IUPAC: (2S)-1-[(2R)-2-[[phenoxy(2-phenylethyl)phosphoryl]amino]propanoyl]pyrrolidine-2-carboxylic acid.
Chemical Property Profile of N(alpha)-((2-phenylethyl)phenoxyphosphoryl)alanylproline
Property Insights of N(alpha)-((2-phenylethyl)phenoxyphosphoryl)alanylproline
The XLogP value of 3.5549 indicates that N(alpha)-((2-phenylethyl)phenoxyphosphoryl)alanylproline is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 95.94 Ų falls within the moderate polarity range, balancing permeability and solubility for N(alpha)-((2-phenylethyl)phenoxyphosphoryl)alanylproline. Following Lipinski's Rule of Five, N(alpha)-((2-phenylethyl)phenoxyphosphoryl)alanylproline has 2 hydrogen bond donor(s) and 4 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 N(alpha)-((2-phenylethyl)phenoxyphosphoryl)alanylproline?
The CAS number of N(alpha)-((2-phenylethyl)phenoxyphosphoryl)alanylproline is 97280-48-3.
What is the molecular formula of N(alpha)-((2-phenylethyl)phenoxyphosphoryl)alanylproline?
The molecular formula of N(alpha)-((2-phenylethyl)phenoxyphosphoryl)alanylproline is C22H27N2O5P.
What is the molecular weight of N(alpha)-((2-phenylethyl)phenoxyphosphoryl)alanylproline?
The molecular weight of N(alpha)-((2-phenylethyl)phenoxyphosphoryl)alanylproline is 430.17 g/mol.
Where can I buy N(alpha)-((2-phenylethyl)phenoxyphosphoryl)alanylproline?
You can request a quote for N(alpha)-((2-phenylethyl)phenoxyphosphoryl)alanylproline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N(alpha)-((2-phenylethyl)phenoxyphosphoryl)alanylproline?
Yes, KEHONG BIO provides custom synthesis services for N(alpha)-((2-phenylethyl)phenoxyphosphoryl)alanylproline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.