![4-[[(2,2-dichloroacetyl)amino]methyl]benzoic Acid structure](/static/products/981/98187-85-0.png)
4-[[(2,2-dichloroacetyl)amino]methyl]benzoic Acid
TL;DR: 4-[[(2,2-dichloroacetyl)amino]methyl]benzoic Acid (CAS 98187-85-0) is a chemical compound with molecular formula C10H9Cl2NO3 and molecular weight 261.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[[(2,2-dichloroacetyl)amino]methyl]benzoic acid
Also Known As: 4-[[(2,2-dichloroacetyl)amino]methyl]benzoic Acid, 4-((2,2-dichloroacetamido)methyl)benzoic acid, 4-[(2,2-DICHLOROACETAMIDO)METHYL]BENZOIC ACID, 4-[(2,2-dichloroacetylamino)methyl]benzoic acid, F0856-0079
| Molecular Formula | C10H9Cl2NO3 |
|---|---|
| Molecular Weight | 261.00 g/mol |
| LogP | 1.8047 |
| Topological Polar Surface Area | 66.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 260.99594 |
| Heavy Atoms | 16 |
| Complexity | 389.55554 |
Chemical Identifiers
| CAS Number | 98187-85-0 |
|---|---|
| SMILES | C1=CC(=CC=C1CNC(=O)C(Cl)Cl)C(=O)O |
Product Overview
4-[[(2,2-dichloroacetyl)amino]methyl]benzoic Acid (CAS 98187-85-0), with molecular formula C10H9Cl2NO3 and molecular weight 261.00 g/mol. IUPAC: 4-[[(2,2-dichloroacetyl)amino]methyl]benzoic acid.
Chemical Property Profile of 4-[[(2,2-dichloroacetyl)amino]methyl]benzoic Acid
Property Insights of 4-[[(2,2-dichloroacetyl)amino]methyl]benzoic Acid
The XLogP value of 1.8047 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-[[(2,2-dichloroacetyl)amino]methyl]benzoic Acid. The TPSA of 66.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-[[(2,2-dichloroacetyl)amino]methyl]benzoic Acid. Following Lipinski's Rule of Five, 4-[[(2,2-dichloroacetyl)amino]methyl]benzoic Acid has 2 hydrogen bond donor(s) and 2 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-[[(2,2-dichloroacetyl)amino]methyl]benzoic Acid?
The CAS number of 4-[[(2,2-dichloroacetyl)amino]methyl]benzoic Acid is 98187-85-0.
What is the molecular formula of 4-[[(2,2-dichloroacetyl)amino]methyl]benzoic Acid?
The molecular formula of 4-[[(2,2-dichloroacetyl)amino]methyl]benzoic Acid is C10H9Cl2NO3.
What is the molecular weight of 4-[[(2,2-dichloroacetyl)amino]methyl]benzoic Acid?
The molecular weight of 4-[[(2,2-dichloroacetyl)amino]methyl]benzoic Acid is 261.00 g/mol.
Where can I buy 4-[[(2,2-dichloroacetyl)amino]methyl]benzoic Acid?
You can request a quote for 4-[[(2,2-dichloroacetyl)amino]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-[[(2,2-dichloroacetyl)amino]methyl]benzoic Acid?
Yes, KEHONG BIO provides custom synthesis services for 4-[[(2,2-dichloroacetyl)amino]methyl]benzoic Acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.