2,3,4,5-Tetrachloro-6-(((3-methoxypropyl)amino)carbonyl)benzoic acid
TL;DR: 2,3,4,5-Tetrachloro-6-(((3-methoxypropyl)amino)carbonyl)benzoic acid (CAS 67846-01-9) is a chemical compound with molecular formula C12H11Cl4NO4 and molecular weight 372.94 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,3,4,5-tetrachloro-6-(3-methoxypropylcarbamoyl)benzoic acid
Also Known As: Thioflavine phosphotungstate pigment, C16H17N2S.1/3O40PW12, 3,4,5,6-Tetrachloro-N-(3-methoxypropyl)phthalamic acid, 2,3,4,5-tetrachloro-6-[(3-methoxypropyl)carbamoyl]benzoic acid, Benzoic acid, 2,3,4,5-tetrachloro-6-[[(3-methoxypropyl)amino]carbonyl]-
| Molecular Formula | C12H11Cl4NO4 |
|---|---|
| Molecular Weight | 372.94 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 75.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 374.94125 |
| Heavy Atoms | 21 |
| Complexity | 384.0 |
Chemical Identifiers
| CAS Number | 67846-01-9 |
|---|---|
| SMILES | COCCCNC(=O)C1=C(C(=C(C(=C1Cl)Cl)Cl)Cl)C(=O)O |
| InChIKey | ZFCWJUKNOSHVCS-UHFFFAOYSA-N |
Product Overview
2,3,4,5-Tetrachloro-6-(((3-methoxypropyl)amino)carbonyl)benzoic acid (CAS 67846-01-9), with molecular formula C12H11Cl4NO4 and molecular weight 372.94 g/mol. IUPAC: 2,3,4,5-tetrachloro-6-(3-methoxypropylcarbamoyl)benzoic acid.
Chemical Property Profile of 2,3,4,5-Tetrachloro-6-(((3-methoxypropyl)amino)carbonyl)benzoic acid
Property Insights of 2,3,4,5-Tetrachloro-6-(((3-methoxypropyl)amino)carbonyl)benzoic acid
The XLogP value of 3.4 indicates that 2,3,4,5-Tetrachloro-6-(((3-methoxypropyl)amino)carbonyl)benzoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 75.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 2,3,4,5-Tetrachloro-6-(((3-methoxypropyl)amino)carbonyl)benzoic acid. Following Lipinski's Rule of Five, 2,3,4,5-Tetrachloro-6-(((3-methoxypropyl)amino)carbonyl)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 2,3,4,5-Tetrachloro-6-(((3-methoxypropyl)amino)carbonyl)benzoic acid?
The CAS number of 2,3,4,5-Tetrachloro-6-(((3-methoxypropyl)amino)carbonyl)benzoic acid is 67846-01-9.
What is the molecular formula of 2,3,4,5-Tetrachloro-6-(((3-methoxypropyl)amino)carbonyl)benzoic acid?
The molecular formula of 2,3,4,5-Tetrachloro-6-(((3-methoxypropyl)amino)carbonyl)benzoic acid is C12H11Cl4NO4.
What is the molecular weight of 2,3,4,5-Tetrachloro-6-(((3-methoxypropyl)amino)carbonyl)benzoic acid?
The molecular weight of 2,3,4,5-Tetrachloro-6-(((3-methoxypropyl)amino)carbonyl)benzoic acid is 372.94 g/mol.
Where can I buy 2,3,4,5-Tetrachloro-6-(((3-methoxypropyl)amino)carbonyl)benzoic acid?
You can request a quote for 2,3,4,5-Tetrachloro-6-(((3-methoxypropyl)amino)carbonyl)benzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,3,4,5-Tetrachloro-6-(((3-methoxypropyl)amino)carbonyl)benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 2,3,4,5-Tetrachloro-6-(((3-methoxypropyl)amino)carbonyl)benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.