2-((3-Oxo-5-phenylcyclohex-1-enyl)amino)benzoic acid
TL;DR: 2-((3-Oxo-5-phenylcyclohex-1-enyl)amino)benzoic acid (CAS 413594-39-5) is a chemical compound with molecular formula C19H17NO3 and molecular weight 307.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(3-oxo-5-phenylcyclohexen-1-yl)amino]benzoic acid
Also Known As: BIM-0014229.P001, 2-[(3-oxo-5-phenylcyclohex-1-en-1-yl)amino]benzoic acid, 2-[(3-oxo-5-phenylcyclohexen-1-yl)amino]benzoic acid, 2-((3-OXO-5-PHENYLCYCLOHEX-1-ENYL)AMINO)BENZOIC ACID, 2-[(3-oxo-5-phenyl-cyclohexen-1-yl)amino]benzoic acid
| Molecular Formula | C19H17NO3 |
|---|---|
| Molecular Weight | 307.12 g/mol |
| LogP | 3.8273 |
| Topological Polar Surface Area | 66.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 307.12085 |
| Heavy Atoms | 23 |
| Complexity | 765.19403 |
Chemical Identifiers
| CAS Number | 413594-39-5 |
|---|---|
| SMILES | C1C(CC(=O)C=C1NC2=CC=CC=C2C(=O)O)C3=CC=CC=C3 |
Product Overview
2-((3-Oxo-5-phenylcyclohex-1-enyl)amino)benzoic acid (CAS 413594-39-5), with molecular formula C19H17NO3 and molecular weight 307.12 g/mol. IUPAC: 2-[(3-oxo-5-phenylcyclohexen-1-yl)amino]benzoic acid.
Chemical Property Profile of 2-((3-Oxo-5-phenylcyclohex-1-enyl)amino)benzoic acid
Property Insights of 2-((3-Oxo-5-phenylcyclohex-1-enyl)amino)benzoic acid
The XLogP value of 3.8273 indicates that 2-((3-Oxo-5-phenylcyclohex-1-enyl)amino)benzoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 66.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-((3-Oxo-5-phenylcyclohex-1-enyl)amino)benzoic acid. Following Lipinski's Rule of Five, 2-((3-Oxo-5-phenylcyclohex-1-enyl)amino)benzoic acid 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 2-((3-Oxo-5-phenylcyclohex-1-enyl)amino)benzoic acid?
The CAS number of 2-((3-Oxo-5-phenylcyclohex-1-enyl)amino)benzoic acid is 413594-39-5.
What is the molecular formula of 2-((3-Oxo-5-phenylcyclohex-1-enyl)amino)benzoic acid?
The molecular formula of 2-((3-Oxo-5-phenylcyclohex-1-enyl)amino)benzoic acid is C19H17NO3.
What is the molecular weight of 2-((3-Oxo-5-phenylcyclohex-1-enyl)amino)benzoic acid?
The molecular weight of 2-((3-Oxo-5-phenylcyclohex-1-enyl)amino)benzoic acid is 307.12 g/mol.
Where can I buy 2-((3-Oxo-5-phenylcyclohex-1-enyl)amino)benzoic acid?
You can request a quote for 2-((3-Oxo-5-phenylcyclohex-1-enyl)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 2-((3-Oxo-5-phenylcyclohex-1-enyl)amino)benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-((3-Oxo-5-phenylcyclohex-1-enyl)amino)benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.