![4-[[4-(2-Chloroacetyl)anilino]methyl]benzoic acid structure](/static/products/1017/10173-53-2.webp)
4-[[4-(2-Chloroacetyl)anilino]methyl]benzoic acid
TL;DR: 4-[[4-(2-Chloroacetyl)anilino]methyl]benzoic acid (CAS 10173-53-2) is a chemical compound with molecular formula C16H14ClNO3 and molecular weight 303.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[[4-(2-chloroacetyl)anilino]methyl]benzoic acid
Also Known As: 1,3-Benzodioxole,5-nitro-6-propyl, 4-[[4-(2-chloroacetyl)anilino]methyl]benzoic acid, 4-({[4-(chloroacetyl)phenyl]amino}methyl)benzoic acid, 4-{[4-(Chloroacetyl)anilino]methyl}benzoic acid, Benzoic acid,4-[[[4-(2-chloroacetyl)phenyl]amino]methyl]-
| Molecular Formula | C16H14ClNO3 |
|---|---|
| Molecular Weight | 303.07 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 66.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 303.06622 |
| Heavy Atoms | 21 |
| Complexity | 359.0 |
Chemical Identifiers
| CAS Number | 10173-53-2 |
|---|---|
| SMILES | C1=CC(=CC=C1CNC2=CC=C(C=C2)C(=O)CCl)C(=O)O |
| InChIKey | IFXBWJMFWVSFLX-UHFFFAOYSA-N |
Product Overview
4-[[4-(2-Chloroacetyl)anilino]methyl]benzoic acid (CAS 10173-53-2), with molecular formula C16H14ClNO3 and molecular weight 303.07 g/mol. IUPAC: 4-[[4-(2-chloroacetyl)anilino]methyl]benzoic acid.
Chemical Property Profile of 4-[[4-(2-Chloroacetyl)anilino]methyl]benzoic acid
Property Insights of 4-[[4-(2-Chloroacetyl)anilino]methyl]benzoic acid
The XLogP value of 3.2 indicates that 4-[[4-(2-Chloroacetyl)anilino]methyl]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 4-[[4-(2-Chloroacetyl)anilino]methyl]benzoic acid. Following Lipinski's Rule of Five, 4-[[4-(2-Chloroacetyl)anilino]methyl]benzoic acid 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 4-[[4-(2-Chloroacetyl)anilino]methyl]benzoic acid?
The CAS number of 4-[[4-(2-Chloroacetyl)anilino]methyl]benzoic acid is 10173-53-2.
What is the molecular formula of 4-[[4-(2-Chloroacetyl)anilino]methyl]benzoic acid?
The molecular formula of 4-[[4-(2-Chloroacetyl)anilino]methyl]benzoic acid is C16H14ClNO3.
What is the molecular weight of 4-[[4-(2-Chloroacetyl)anilino]methyl]benzoic acid?
The molecular weight of 4-[[4-(2-Chloroacetyl)anilino]methyl]benzoic acid is 303.07 g/mol.
Where can I buy 4-[[4-(2-Chloroacetyl)anilino]methyl]benzoic acid?
You can request a quote for 4-[[4-(2-Chloroacetyl)anilino]methyl]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-(2-Chloroacetyl)anilino]methyl]benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-[[4-(2-Chloroacetyl)anilino]methyl]benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.