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Methyl 2-[(2,2-dichloroacetyl)amino]benzoate
TL;DR: Methyl 2-[(2,2-dichloroacetyl)amino]benzoate (CAS 78987-53-8) 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.
methyl 2-[(2,2-dichloroacetyl)amino]benzoate
Also Known As: methyl 2-[(2,2-dichloroacetyl)amino]benzoate, METHYL 2-(2,2-DICHLOROACETAMIDO)BENZOATE, Benzoic acid, 2-[(2,2-dichloroacetyl)amino]-, methyl ester
| Molecular Formula | C10H9Cl2NO3 |
|---|---|
| Molecular Weight | 261.00 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 260.99594 |
| Heavy Atoms | 16 |
| Complexity | 271.0 |
Chemical Identifiers
| CAS Number | 78987-53-8 |
|---|---|
| SMILES | COC(=O)C1=CC=CC=C1NC(=O)C(Cl)Cl |
| InChIKey | FQTDUIHZSPAZGM-UHFFFAOYSA-N |
Product Overview
Methyl 2-[(2,2-dichloroacetyl)amino]benzoate (CAS 78987-53-8), with molecular formula C10H9Cl2NO3 and molecular weight 261.00 g/mol. IUPAC: methyl 2-[(2,2-dichloroacetyl)amino]benzoate.
Chemical Property Profile of Methyl 2-[(2,2-dichloroacetyl)amino]benzoate
Property Insights of Methyl 2-[(2,2-dichloroacetyl)amino]benzoate
The XLogP value of 3.0 indicates that Methyl 2-[(2,2-dichloroacetyl)amino]benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.4 Ų, Methyl 2-[(2,2-dichloroacetyl)amino]benzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 2-[(2,2-dichloroacetyl)amino]benzoate has 1 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 Methyl 2-[(2,2-dichloroacetyl)amino]benzoate?
The CAS number of Methyl 2-[(2,2-dichloroacetyl)amino]benzoate is 78987-53-8.
What is the molecular formula of Methyl 2-[(2,2-dichloroacetyl)amino]benzoate?
The molecular formula of Methyl 2-[(2,2-dichloroacetyl)amino]benzoate is C10H9Cl2NO3.
What is the molecular weight of Methyl 2-[(2,2-dichloroacetyl)amino]benzoate?
The molecular weight of Methyl 2-[(2,2-dichloroacetyl)amino]benzoate is 261.00 g/mol.
Where can I buy Methyl 2-[(2,2-dichloroacetyl)amino]benzoate?
You can request a quote for Methyl 2-[(2,2-dichloroacetyl)amino]benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 2-[(2,2-dichloroacetyl)amino]benzoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 2-[(2,2-dichloroacetyl)amino]benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.