N-(1(S)-Carboxy-(4-hydroxy-3-iodophenyl)ethyl)-alanylproline
TL;DR: N-(1(S)-Carboxy-(4-hydroxy-3-iodophenyl)ethyl)-alanylproline (CAS 104531-07-9) is a chemical compound with molecular formula C17H21IN2O6 and molecular weight 476.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S)-1-[(2S)-2-[[1-carboxy-2-(4-hydroxy-3-iodophenyl)ethyl]amino]propanoyl]pyrrolidine-2-carboxylic acid
Also Known As: Cpap-E, N-(1(S)-Carboxy-(4-hydroxy-3-iodophenyl)ethyl)-alanylproline, N-(1(S)-Carboxy-(4-OH-3-iodophenyl)ethyl)-ala-pro, N-(1(S)-Carboxy-(4-OH-3-(125)iodopheny)ethyl)-ala-pro, N-[1-Carboxy-2-(4-hydroxy-3-iodophenyl)ethyl]alanylproline
| Molecular Formula | C17H21IN2O6 |
|---|---|
| Molecular Weight | 476.04 g/mol |
| LogP | -0.8 |
| Topological Polar Surface Area | 127.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 476.04443 |
| Heavy Atoms | 26 |
| Complexity | 545.0 |
Chemical Identifiers
| CAS Number | 104531-07-9 |
|---|---|
| SMILES | C[C@@H](C(=O)N1CCC[C@H]1C(=O)O)NC(CC2=CC(=C(C=C2)O)I)C(=O)O |
| InChIKey | OWPKZUVCCJEJRB-SKGBEAKQSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
N-(1(S)-Carboxy-(4-hydroxy-3-iodophenyl)ethyl)-alanylproline (CAS 104531-07-9), with molecular formula C17H21IN2O6 and molecular weight 476.04 g/mol. IUPAC: (2S)-1-[(2S)-2-[[1-carboxy-2-(4-hydroxy-3-iodophenyl)ethyl]amino]propanoyl]pyrrolidine-2-carboxylic acid.
Chemical Property Profile of N-(1(S)-Carboxy-(4-hydroxy-3-iodophenyl)ethyl)-alanylproline
Property Insights of N-(1(S)-Carboxy-(4-hydroxy-3-iodophenyl)ethyl)-alanylproline
The XLogP value of -0.8 indicates that N-(1(S)-Carboxy-(4-hydroxy-3-iodophenyl)ethyl)-alanylproline is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 127.0 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(1(S)-Carboxy-(4-hydroxy-3-iodophenyl)ethyl)-alanylproline. Following Lipinski's Rule of Five, N-(1(S)-Carboxy-(4-hydroxy-3-iodophenyl)ethyl)-alanylproline has 4 hydrogen bond donor(s) and 7 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-(1(S)-Carboxy-(4-hydroxy-3-iodophenyl)ethyl)-alanylproline?
The CAS number of N-(1(S)-Carboxy-(4-hydroxy-3-iodophenyl)ethyl)-alanylproline is 104531-07-9.
What is the molecular formula of N-(1(S)-Carboxy-(4-hydroxy-3-iodophenyl)ethyl)-alanylproline?
The molecular formula of N-(1(S)-Carboxy-(4-hydroxy-3-iodophenyl)ethyl)-alanylproline is C17H21IN2O6.
What is the molecular weight of N-(1(S)-Carboxy-(4-hydroxy-3-iodophenyl)ethyl)-alanylproline?
The molecular weight of N-(1(S)-Carboxy-(4-hydroxy-3-iodophenyl)ethyl)-alanylproline is 476.04 g/mol.
Where can I buy N-(1(S)-Carboxy-(4-hydroxy-3-iodophenyl)ethyl)-alanylproline?
You can request a quote for N-(1(S)-Carboxy-(4-hydroxy-3-iodophenyl)ethyl)-alanylproline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(1(S)-Carboxy-(4-hydroxy-3-iodophenyl)ethyl)-alanylproline?
Yes, KEHONG BIO provides custom synthesis services for N-(1(S)-Carboxy-(4-hydroxy-3-iodophenyl)ethyl)-alanylproline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.