3-Phenyl-2-(2-pyridin-2-ylethoxycarbonylamino)propanoic acid
TL;DR: 3-Phenyl-2-(2-pyridin-2-ylethoxycarbonylamino)propanoic acid (CAS 87136-59-2) is a chemical compound with molecular formula C17H18N2O4 and molecular weight 314.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-phenyl-2-(2-pyridin-2-ylethoxycarbonylamino)propanoic acid
Also Known As: 3-phenyl-2-(2-pyridin-2-ylethoxycarbonylamino)propanoic acid, N-{[2-(Pyridin-2-yl)ethoxy]carbonyl}phenylalanine
| Molecular Formula | C17H18N2O4 |
|---|---|
| Molecular Weight | 314.13 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 88.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 314.12665 |
| Heavy Atoms | 23 |
| Complexity | 383.0 |
Chemical Identifiers
| CAS Number | 87136-59-2 |
|---|---|
| SMILES | C1=CC=C(C=C1)CC(C(=O)O)NC(=O)OCCC2=CC=CC=N2 |
| InChIKey | IAEFAPVBBQTSLU-UHFFFAOYSA-N |
Product Overview
3-Phenyl-2-(2-pyridin-2-ylethoxycarbonylamino)propanoic acid (CAS 87136-59-2), with molecular formula C17H18N2O4 and molecular weight 314.13 g/mol. IUPAC: 3-phenyl-2-(2-pyridin-2-ylethoxycarbonylamino)propanoic acid.
Chemical Property Profile of 3-Phenyl-2-(2-pyridin-2-ylethoxycarbonylamino)propanoic acid
Property Insights of 3-Phenyl-2-(2-pyridin-2-ylethoxycarbonylamino)propanoic acid
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Phenyl-2-(2-pyridin-2-ylethoxycarbonylamino)propanoic acid. The TPSA of 88.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Phenyl-2-(2-pyridin-2-ylethoxycarbonylamino)propanoic acid. Following Lipinski's Rule of Five, 3-Phenyl-2-(2-pyridin-2-ylethoxycarbonylamino)propanoic acid has 2 hydrogen bond donor(s) and 5 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 3-Phenyl-2-(2-pyridin-2-ylethoxycarbonylamino)propanoic acid?
The CAS number of 3-Phenyl-2-(2-pyridin-2-ylethoxycarbonylamino)propanoic acid is 87136-59-2.
What is the molecular formula of 3-Phenyl-2-(2-pyridin-2-ylethoxycarbonylamino)propanoic acid?
The molecular formula of 3-Phenyl-2-(2-pyridin-2-ylethoxycarbonylamino)propanoic acid is C17H18N2O4.
What is the molecular weight of 3-Phenyl-2-(2-pyridin-2-ylethoxycarbonylamino)propanoic acid?
The molecular weight of 3-Phenyl-2-(2-pyridin-2-ylethoxycarbonylamino)propanoic acid is 314.13 g/mol.
Where can I buy 3-Phenyl-2-(2-pyridin-2-ylethoxycarbonylamino)propanoic acid?
You can request a quote for 3-Phenyl-2-(2-pyridin-2-ylethoxycarbonylamino)propanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Phenyl-2-(2-pyridin-2-ylethoxycarbonylamino)propanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-Phenyl-2-(2-pyridin-2-ylethoxycarbonylamino)propanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.