4-(((4-(Phenylmethoxy)phenyl)methylene)amino)benzoic acid
TL;DR: 4-(((4-(Phenylmethoxy)phenyl)methylene)amino)benzoic acid (CAS 64518-90-7) is a chemical compound with molecular formula C21H17NO3 and molecular weight 331.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(4-phenylmethoxyphenyl)methylideneamino]benzoic acid
Also Known As: 4-(((4-(Phenylmethoxy)phenyl)methylene)amino)benzoic acid, 4-[(4-phenylmethoxyphenyl)methylideneamino]benzoic acid, Benzoic acid, 4-(((4-(phenylmethoxy)phenyl)methylene)amino)-, BRN 2996754
| Molecular Formula | C21H17NO3 |
|---|---|
| Molecular Weight | 331.12 g/mol |
| LogP | 4.2 |
| Topological Polar Surface Area | 58.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 331.12085 |
| Heavy Atoms | 25 |
| Complexity | 428.0 |
Chemical Identifiers
| CAS Number | 64518-90-7 |
|---|---|
| SMILES | C1=CC=C(C=C1)COC2=CC=C(C=C2)C=NC3=CC=C(C=C3)C(=O)O |
| InChIKey | MSCJUURDUNFVPB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-(((4-(Phenylmethoxy)phenyl)methylene)amino)benzoic acid (CAS 64518-90-7), with molecular formula C21H17NO3 and molecular weight 331.12 g/mol. IUPAC: 4-[(4-phenylmethoxyphenyl)methylideneamino]benzoic acid.
Chemical Property Profile of 4-(((4-(Phenylmethoxy)phenyl)methylene)amino)benzoic acid
Property Insights of 4-(((4-(Phenylmethoxy)phenyl)methylene)amino)benzoic acid
The XLogP value of 4.2 indicates that 4-(((4-(Phenylmethoxy)phenyl)methylene)amino)benzoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 58.9 Ų, 4-(((4-(Phenylmethoxy)phenyl)methylene)amino)benzoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(((4-(Phenylmethoxy)phenyl)methylene)amino)benzoic acid has 1 hydrogen bond donor(s) and 4 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 4-(((4-(Phenylmethoxy)phenyl)methylene)amino)benzoic acid?
The CAS number of 4-(((4-(Phenylmethoxy)phenyl)methylene)amino)benzoic acid is 64518-90-7.
What is the molecular formula of 4-(((4-(Phenylmethoxy)phenyl)methylene)amino)benzoic acid?
The molecular formula of 4-(((4-(Phenylmethoxy)phenyl)methylene)amino)benzoic acid is C21H17NO3.
What is the molecular weight of 4-(((4-(Phenylmethoxy)phenyl)methylene)amino)benzoic acid?
The molecular weight of 4-(((4-(Phenylmethoxy)phenyl)methylene)amino)benzoic acid is 331.12 g/mol.
Where can I buy 4-(((4-(Phenylmethoxy)phenyl)methylene)amino)benzoic acid?
You can request a quote for 4-(((4-(Phenylmethoxy)phenyl)methylene)amino)benzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(((4-(Phenylmethoxy)phenyl)methylene)amino)benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-(((4-(Phenylmethoxy)phenyl)methylene)amino)benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.