![3,5-Dibromo-2-[(2,2,2-trichloroacetyl)carbamothioylamino]benzoic acid structure](/static/products/5301/530153-82-3.webp)
3,5-Dibromo-2-[(2,2,2-trichloroacetyl)carbamothioylamino]benzoic acid
TL;DR: 3,5-Dibromo-2-[(2,2,2-trichloroacetyl)carbamothioylamino]benzoic acid (CAS 530153-82-3) is a chemical compound with molecular formula C10H5Br2Cl3N2O3S and molecular weight 495.75 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,5-dibromo-2-[(2,2,2-trichloroacetyl)carbamothioylamino]benzoic acid
Also Known As: 3,5-dibromo-2-[[thioxo[amino]methyl]amino]-benzoicacid, 3,5-DIBROMO-2-[[THIOXO[ AMINO]METHYL]AMINO]-BENZOICACID, 3,5-dibromo-2-[(2,2,2-trichloroacetyl)carbamothioylamino]benzoic acid, 3,5-dibromo-2-[(2,2,2-trichloroacetyl)thiocarbamoylamino]benzoic Acid, 3,5-Dibromo-2-[[thioxo[(trichloroacetyl)amino]methyl ]amino]-benzoic acid
| Molecular Formula | C10H5Br2Cl3N2O3S |
|---|---|
| Molecular Weight | 495.75 g/mol |
| LogP | 4.093 |
| Topological Polar Surface Area | 78.43 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 495.74533 |
| Heavy Atoms | 21 |
| Complexity | 622.30084 |
Chemical Identifiers
| CAS Number | 530153-82-3 |
|---|---|
| SMILES | C1=C(C=C(C(=C1C(=O)O)NC(=S)NC(=O)C(Cl)(Cl)Cl)Br)Br |
Product Overview
3,5-Dibromo-2-[(2,2,2-trichloroacetyl)carbamothioylamino]benzoic acid (CAS 530153-82-3), with molecular formula C10H5Br2Cl3N2O3S and molecular weight 495.75 g/mol. IUPAC: 3,5-dibromo-2-[(2,2,2-trichloroacetyl)carbamothioylamino]benzoic acid.
Chemical Property Profile of 3,5-Dibromo-2-[(2,2,2-trichloroacetyl)carbamothioylamino]benzoic acid
Property Insights of 3,5-Dibromo-2-[(2,2,2-trichloroacetyl)carbamothioylamino]benzoic acid
The XLogP value of 4.093 indicates that 3,5-Dibromo-2-[(2,2,2-trichloroacetyl)carbamothioylamino]benzoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 78.43 Ų falls within the moderate polarity range, balancing permeability and solubility for 3,5-Dibromo-2-[(2,2,2-trichloroacetyl)carbamothioylamino]benzoic acid. Following Lipinski's Rule of Five, 3,5-Dibromo-2-[(2,2,2-trichloroacetyl)carbamothioylamino]benzoic acid has 3 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 3,5-Dibromo-2-[(2,2,2-trichloroacetyl)carbamothioylamino]benzoic acid?
The CAS number of 3,5-Dibromo-2-[(2,2,2-trichloroacetyl)carbamothioylamino]benzoic acid is 530153-82-3.
What is the molecular formula of 3,5-Dibromo-2-[(2,2,2-trichloroacetyl)carbamothioylamino]benzoic acid?
The molecular formula of 3,5-Dibromo-2-[(2,2,2-trichloroacetyl)carbamothioylamino]benzoic acid is C10H5Br2Cl3N2O3S.
What is the molecular weight of 3,5-Dibromo-2-[(2,2,2-trichloroacetyl)carbamothioylamino]benzoic acid?
The molecular weight of 3,5-Dibromo-2-[(2,2,2-trichloroacetyl)carbamothioylamino]benzoic acid is 495.75 g/mol.
Where can I buy 3,5-Dibromo-2-[(2,2,2-trichloroacetyl)carbamothioylamino]benzoic acid?
You can request a quote for 3,5-Dibromo-2-[(2,2,2-trichloroacetyl)carbamothioylamino]benzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,5-Dibromo-2-[(2,2,2-trichloroacetyl)carbamothioylamino]benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3,5-Dibromo-2-[(2,2,2-trichloroacetyl)carbamothioylamino]benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.