methyl N-trichloroacetylanthranilate
TL;DR: methyl N-trichloroacetylanthranilate (CAS 349612-65-3) is a chemical compound with molecular formula C10H8Cl3NO3 and molecular weight 294.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[(2,2,2-trichloroacetyl)amino]benzoate
Also Known As: methyl N-trichloroacetylanthranilate, Methyl 2-[(2,2,2-trichloroacetyl)amino]benzoate, methyl 2-(2,2,2-trichloroacetamido)benzoate
| Molecular Formula | C10H8Cl3NO3 |
|---|---|
| Molecular Weight | 294.96 g/mol |
| LogP | 2.7819 |
| Topological Polar Surface Area | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 294.95697 |
| Heavy Atoms | 17 |
| Complexity | 442.66742 |
Chemical Identifiers
| CAS Number | 349612-65-3 |
|---|---|
| SMILES | COC(=O)C1=CC=CC=C1NC(=O)C(Cl)(Cl)Cl |
Product Overview
methyl N-trichloroacetylanthranilate (CAS 349612-65-3), with molecular formula C10H8Cl3NO3 and molecular weight 294.96 g/mol. IUPAC: methyl 2-[(2,2,2-trichloroacetyl)amino]benzoate.
Chemical Property Profile of methyl N-trichloroacetylanthranilate
Property Insights of methyl N-trichloroacetylanthranilate
The XLogP value of 2.7819 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl N-trichloroacetylanthranilate. With a topological polar surface area (TPSA) of 55.4 Ų, methyl N-trichloroacetylanthranilate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, methyl N-trichloroacetylanthranilate 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 N-trichloroacetylanthranilate?
The CAS number of methyl N-trichloroacetylanthranilate is 349612-65-3.
What is the molecular formula of methyl N-trichloroacetylanthranilate?
The molecular formula of methyl N-trichloroacetylanthranilate is C10H8Cl3NO3.
What is the molecular weight of methyl N-trichloroacetylanthranilate?
The molecular weight of methyl N-trichloroacetylanthranilate is 294.96 g/mol.
Where can I buy methyl N-trichloroacetylanthranilate?
You can request a quote for methyl N-trichloroacetylanthranilate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl N-trichloroacetylanthranilate?
Yes, KEHONG BIO provides custom synthesis services for methyl N-trichloroacetylanthranilate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.