Ethyl5-(( -2-hydroxybenzoate
TL;DR: Ethyl5-(( -2-hydroxybenzoate (CAS 4914-45-8) is a chemical compound with molecular formula C17H16ClNO4 and molecular weight 333.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 5-[(4-chloro-2-methylphenyl)carbamoyl]-2-hydroxybenzoate
Also Known As: Ethyl5-(( -2-hydroxybenzoate, Ethyl 5-(((4-chloro-2-methylphenyl)amino)carbonyl)-2-hydroxybenzoate, ethyl 5-[(4-chloro-2-methylphenyl)carbamoyl]-2-hydroxybenzoate, Benzoic acid, 5-(((4-chloro-2-methylphenyl)amino)carbonyl)-2-hydroxy-, ethyl ester, BRN 2889958
| Molecular Formula | C17H16ClNO4 |
|---|---|
| Molecular Weight | 333.08 g/mol |
| LogP | 4.2 |
| Topological Polar Surface Area | 75.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 333.07678 |
| Heavy Atoms | 23 |
| Complexity | 431.0 |
Chemical Identifiers
| CAS Number | 4914-45-8 |
|---|---|
| SMILES | CCOC(=O)C1=C(C=CC(=C1)C(=O)NC2=C(C=C(C=C2)Cl)C)O |
| InChIKey | WCOUDZCAJTZYGJ-UHFFFAOYSA-N |
Product Overview
Ethyl5-(( -2-hydroxybenzoate (CAS 4914-45-8), with molecular formula C17H16ClNO4 and molecular weight 333.08 g/mol. IUPAC: ethyl 5-[(4-chloro-2-methylphenyl)carbamoyl]-2-hydroxybenzoate.
Chemical Property Profile of Ethyl5-(( -2-hydroxybenzoate
Property Insights of Ethyl5-(( -2-hydroxybenzoate
The XLogP value of 4.2 indicates that Ethyl5-(( -2-hydroxybenzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 75.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl5-(( -2-hydroxybenzoate. Following Lipinski's Rule of Five, Ethyl5-(( -2-hydroxybenzoate has 2 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 Ethyl5-(( -2-hydroxybenzoate?
The CAS number of Ethyl5-(( -2-hydroxybenzoate is 4914-45-8.
What is the molecular formula of Ethyl5-(( -2-hydroxybenzoate?
The molecular formula of Ethyl5-(( -2-hydroxybenzoate is C17H16ClNO4.
What is the molecular weight of Ethyl5-(( -2-hydroxybenzoate?
The molecular weight of Ethyl5-(( -2-hydroxybenzoate is 333.08 g/mol.
Where can I buy Ethyl5-(( -2-hydroxybenzoate?
You can request a quote for Ethyl5-(( -2-hydroxybenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl5-(( -2-hydroxybenzoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl5-(( -2-hydroxybenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.