Acetic acid, 2-(p-(benzylamino)phenyl)-
TL;DR: Acetic acid, 2-(p-(benzylamino)phenyl)- (CAS 39718-80-4) is a chemical compound with molecular formula C15H15NO2 and molecular weight 241.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[4-(benzylamino)phenyl]acetic acid
Also Known As: (4-Benzylaminophenyl)acetic acid, 2-[4-(benzylamino)phenyl]acetic acid, Acide benzylamino-4 phenylacetique, Acide benzylamino-4 phenylacetique [French], ACETIC ACID, 2-(p-(BENZYLAMINO)PHENYL)-
| Molecular Formula | C15H15NO2 |
|---|---|
| Molecular Weight | 241.11 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 | 241.11028 |
| Heavy Atoms | 18 |
| Complexity | 253.0 |
Chemical Identifiers
| CAS Number | 39718-80-4 |
|---|---|
| SMILES | C1=CC=C(C=C1)CNC2=CC=C(C=C2)CC(=O)O |
| InChIKey | SXBXECJEQCYKSP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Acetic acid, 2-(p-(benzylamino)phenyl)- (CAS 39718-80-4), with molecular formula C15H15NO2 and molecular weight 241.11 g/mol. IUPAC: 2-[4-(benzylamino)phenyl]acetic acid.
Chemical Property Profile of Acetic acid, 2-(p-(benzylamino)phenyl)-
Property Insights of Acetic acid, 2-(p-(benzylamino)phenyl)-
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Acetic acid, 2-(p-(benzylamino)phenyl)-. With a topological polar surface area (TPSA) of 49.3 Ų, Acetic acid, 2-(p-(benzylamino)phenyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Acetic acid, 2-(p-(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 Acetic acid, 2-(p-(benzylamino)phenyl)-?
The CAS number of Acetic acid, 2-(p-(benzylamino)phenyl)- is 39718-80-4.
What is the molecular formula of Acetic acid, 2-(p-(benzylamino)phenyl)-?
The molecular formula of Acetic acid, 2-(p-(benzylamino)phenyl)- is C15H15NO2.
What is the molecular weight of Acetic acid, 2-(p-(benzylamino)phenyl)-?
The molecular weight of Acetic acid, 2-(p-(benzylamino)phenyl)- is 241.11 g/mol.
Where can I buy Acetic acid, 2-(p-(benzylamino)phenyl)-?
You can request a quote for Acetic acid, 2-(p-(benzylamino)phenyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Acetic acid, 2-(p-(benzylamino)phenyl)-?
Yes, KEHONG BIO provides custom synthesis services for Acetic acid, 2-(p-(benzylamino)phenyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.