Propionic acid, 2-(4-(benzylamino)phenyl)-
TL;DR: Propionic acid, 2-(4-(benzylamino)phenyl)- (CAS 52185-93-0) is a chemical compound with molecular formula C16H17NO2 and molecular weight 255.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[4-(benzylamino)phenyl]propanoic acid
Also Known As: 2-[4-(benzylamino)phenyl]propanoic acid, 2-(4-(Benzylamino)phenyl)propionic acid, Propionic acid, 2-(4-(benzylamino)phenyl)-, Acide (benzylamino-4 phenyl)-2 propionique, 2-[4-(Benzylamino)phenyl]propionic acid
| Molecular Formula | C16H17NO2 |
|---|---|
| Molecular Weight | 255.13 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 49.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 255.12593 |
| Heavy Atoms | 19 |
| Complexity | 278.0 |
Chemical Identifiers
| CAS Number | 52185-93-0 |
|---|---|
| SMILES | CC(C1=CC=C(C=C1)NCC2=CC=CC=C2)C(=O)O |
| InChIKey | ZCEHTVNVKMNTFS-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Propionic acid, 2-(4-(benzylamino)phenyl)- (CAS 52185-93-0), with molecular formula C16H17NO2 and molecular weight 255.13 g/mol. IUPAC: 2-[4-(benzylamino)phenyl]propanoic acid.
Chemical Property Profile of Propionic acid, 2-(4-(benzylamino)phenyl)-
Property Insights of Propionic acid, 2-(4-(benzylamino)phenyl)-
The XLogP value of 3.4 indicates that Propionic acid, 2-(4-(benzylamino)phenyl)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 49.3 Ų, Propionic acid, 2-(4-(benzylamino)phenyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Propionic acid, 2-(4-(benzylamino)phenyl)- has 2 hydrogen bond donor(s) and 3 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 Propionic acid, 2-(4-(benzylamino)phenyl)-?
The CAS number of Propionic acid, 2-(4-(benzylamino)phenyl)- is 52185-93-0.
What is the molecular formula of Propionic acid, 2-(4-(benzylamino)phenyl)-?
The molecular formula of Propionic acid, 2-(4-(benzylamino)phenyl)- is C16H17NO2.
What is the molecular weight of Propionic acid, 2-(4-(benzylamino)phenyl)-?
The molecular weight of Propionic acid, 2-(4-(benzylamino)phenyl)- is 255.13 g/mol.
Where can I buy Propionic acid, 2-(4-(benzylamino)phenyl)-?
You can request a quote for Propionic acid, 2-(4-(benzylamino)phenyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Propionic acid, 2-(4-(benzylamino)phenyl)-?
Yes, KEHONG BIO provides custom synthesis services for Propionic acid, 2-(4-(benzylamino)phenyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.