![2-[(Tert-butylamino)carbonyl]-3,4,5,6-tetrachlorobenzoic acid structure](/static/products/809/80992-19-4.png)
2-[(Tert-butylamino)carbonyl]-3,4,5,6-tetrachlorobenzoic acid
TL;DR: 2-[(Tert-butylamino)carbonyl]-3,4,5,6-tetrachlorobenzoic acid (CAS 80992-19-4) is a chemical compound with molecular formula C12H11Cl4NO3 and molecular weight 356.95 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(tert-butylcarbamoyl)-3,4,5,6-tetrachlorobenzoic acid
Also Known As: n-tert-butyl-3,4,5,6-tetrachlorophthalamic acid, 2,3,4,5-tetrachloro-6-(tert-butylcarbamoyl)benzoic Acid, 2-(tert-butylcarbamoyl)-3,4,5,6-tetrachlorobenzoic acid, 2-[(tert-butylamino)carbonyl]-3,4,5,6-tetrachlorobenzoic acid
| Molecular Formula | C12H11Cl4NO3 |
|---|---|
| Molecular Weight | 356.95 g/mol |
| LogP | 4.5267 |
| Topological Polar Surface Area | 66.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 356.9493 |
| Heavy Atoms | 20 |
| Complexity | 593.5908 |
Chemical Identifiers
| CAS Number | 80992-19-4 |
|---|---|
| SMILES | CC(C)(C)NC(=O)C1=C(C(=C(C(=C1Cl)Cl)Cl)Cl)C(=O)O |
Product Overview
2-[(Tert-butylamino)carbonyl]-3,4,5,6-tetrachlorobenzoic acid (CAS 80992-19-4), with molecular formula C12H11Cl4NO3 and molecular weight 356.95 g/mol. IUPAC: 2-(tert-butylcarbamoyl)-3,4,5,6-tetrachlorobenzoic acid.
Chemical Property Profile of 2-[(Tert-butylamino)carbonyl]-3,4,5,6-tetrachlorobenzoic acid
Property Insights of 2-[(Tert-butylamino)carbonyl]-3,4,5,6-tetrachlorobenzoic acid
The XLogP value of 4.5267 indicates that 2-[(Tert-butylamino)carbonyl]-3,4,5,6-tetrachlorobenzoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 66.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[(Tert-butylamino)carbonyl]-3,4,5,6-tetrachlorobenzoic acid. Following Lipinski's Rule of Five, 2-[(Tert-butylamino)carbonyl]-3,4,5,6-tetrachlorobenzoic 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 2-[(Tert-butylamino)carbonyl]-3,4,5,6-tetrachlorobenzoic acid?
The CAS number of 2-[(Tert-butylamino)carbonyl]-3,4,5,6-tetrachlorobenzoic acid is 80992-19-4.
What is the molecular formula of 2-[(Tert-butylamino)carbonyl]-3,4,5,6-tetrachlorobenzoic acid?
The molecular formula of 2-[(Tert-butylamino)carbonyl]-3,4,5,6-tetrachlorobenzoic acid is C12H11Cl4NO3.
What is the molecular weight of 2-[(Tert-butylamino)carbonyl]-3,4,5,6-tetrachlorobenzoic acid?
The molecular weight of 2-[(Tert-butylamino)carbonyl]-3,4,5,6-tetrachlorobenzoic acid is 356.95 g/mol.
Where can I buy 2-[(Tert-butylamino)carbonyl]-3,4,5,6-tetrachlorobenzoic acid?
You can request a quote for 2-[(Tert-butylamino)carbonyl]-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-[(Tert-butylamino)carbonyl]-3,4,5,6-tetrachlorobenzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-[(Tert-butylamino)carbonyl]-3,4,5,6-tetrachlorobenzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.