Propionic acid, 2-(4-(allylamino)phenyl)-
TL;DR: Propionic acid, 2-(4-(allylamino)phenyl)- (CAS 52167-54-1) is a chemical compound with molecular formula C12H15NO2 and molecular weight 205.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[4-(prop-2-enylamino)phenyl]propanoic acid
Also Known As: 2-(4-(Allylamino)phenyl)propionic acid, Propionic acid, 2-(4-(allylamino)phenyl)-, Acide (aminoallyl-4 phenyl)-2 propionique, 2-(4-((2-Propenyl)amino)phenyl)propionic acid, 2-(p-allylaminophenyl)-propionic acid
| Molecular Formula | C12H15NO2 |
|---|---|
| Molecular Weight | 205.11 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 49.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 205.11028 |
| Heavy Atoms | 15 |
| Complexity | 220.0 |
Chemical Identifiers
| CAS Number | 52167-54-1 |
|---|---|
| SMILES | CC(C1=CC=C(C=C1)NCC=C)C(=O)O |
| InChIKey | UPNBDHDPMYTOHW-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Propionic acid, 2-(4-(allylamino)phenyl)- (CAS 52167-54-1), with molecular formula C12H15NO2 and molecular weight 205.11 g/mol. IUPAC: 2-[4-(prop-2-enylamino)phenyl]propanoic acid.
Chemical Property Profile of Propionic acid, 2-(4-(allylamino)phenyl)-
Property Insights of Propionic acid, 2-(4-(allylamino)phenyl)-
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Propionic acid, 2-(4-(allylamino)phenyl)-. With a topological polar surface area (TPSA) of 49.3 Ų, Propionic acid, 2-(4-(allylamino)phenyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Propionic acid, 2-(4-(allylamino)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-(allylamino)phenyl)-?
The CAS number of Propionic acid, 2-(4-(allylamino)phenyl)- is 52167-54-1.
What is the molecular formula of Propionic acid, 2-(4-(allylamino)phenyl)-?
The molecular formula of Propionic acid, 2-(4-(allylamino)phenyl)- is C12H15NO2.
What is the molecular weight of Propionic acid, 2-(4-(allylamino)phenyl)-?
The molecular weight of Propionic acid, 2-(4-(allylamino)phenyl)- is 205.11 g/mol.
Where can I buy Propionic acid, 2-(4-(allylamino)phenyl)-?
You can request a quote for Propionic acid, 2-(4-(allylamino)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-(allylamino)phenyl)-?
Yes, KEHONG BIO provides custom synthesis services for Propionic acid, 2-(4-(allylamino)phenyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.