2-Carbamoyl-3,4,5,6-tetrachlorobenzoic acid
TL;DR: 2-Carbamoyl-3,4,5,6-tetrachlorobenzoic acid (CAS 5653-72-5) is a chemical compound with molecular formula C8H3Cl4NO3 and molecular weight 300.89 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-carbamoyl-3,4,5,6-tetrachlorobenzoic acid
Also Known As: 2-carbamoyl-3,4,5,6-tetrachlorobenzoic acid, Moxifloxacin Impurity 81, Moxifloxacin Impurity 100, Tetrachlorophthalic acid monoamide, Tetrachlor-phthalsaeure-monoamid
| Molecular Formula | C8H3Cl4NO3 |
|---|---|
| Molecular Weight | 300.89 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 80.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 300.88672 |
| Heavy Atoms | 16 |
| Complexity | 314.0 |
Chemical Identifiers
| CAS Number | 5653-72-5 |
|---|---|
| SMILES | C1(=C(C(=C(C(=C1Cl)Cl)Cl)Cl)C(=O)O)C(=O)N |
| InChIKey | VLHPTNVVTJTDHN-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Carbamoyl-3,4,5,6-tetrachlorobenzoic acid (CAS 5653-72-5), with molecular formula C8H3Cl4NO3 and molecular weight 300.89 g/mol. IUPAC: 2-carbamoyl-3,4,5,6-tetrachlorobenzoic acid.
Chemical Property Profile of 2-Carbamoyl-3,4,5,6-tetrachlorobenzoic acid
Property Insights of 2-Carbamoyl-3,4,5,6-tetrachlorobenzoic acid
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Carbamoyl-3,4,5,6-tetrachlorobenzoic acid. The TPSA of 80.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Carbamoyl-3,4,5,6-tetrachlorobenzoic acid. Following Lipinski's Rule of Five, 2-Carbamoyl-3,4,5,6-tetrachlorobenzoic acid has 2 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 2-Carbamoyl-3,4,5,6-tetrachlorobenzoic acid?
The CAS number of 2-Carbamoyl-3,4,5,6-tetrachlorobenzoic acid is 5653-72-5.
What is the molecular formula of 2-Carbamoyl-3,4,5,6-tetrachlorobenzoic acid?
The molecular formula of 2-Carbamoyl-3,4,5,6-tetrachlorobenzoic acid is C8H3Cl4NO3.
What is the molecular weight of 2-Carbamoyl-3,4,5,6-tetrachlorobenzoic acid?
The molecular weight of 2-Carbamoyl-3,4,5,6-tetrachlorobenzoic acid is 300.89 g/mol.
Where can I buy 2-Carbamoyl-3,4,5,6-tetrachlorobenzoic acid?
You can request a quote for 2-Carbamoyl-3,4,5,6-tetrachlorobenzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Carbamoyl-3,4,5,6-tetrachlorobenzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-Carbamoyl-3,4,5,6-tetrachlorobenzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.