![3,5-Dibromo-2-[[[(3-methyl-1-oxobutyl)amino]thioxomethyl]amino]-benzoic acid structure](/static/products/5329/532949-19-2.webp)
3,5-Dibromo-2-[[[(3-methyl-1-oxobutyl)amino]thioxomethyl]amino]-benzoic acid
TL;DR: 3,5-Dibromo-2-[[[(3-methyl-1-oxobutyl)amino]thioxomethyl]amino]-benzoic acid (CAS 532949-19-2) is a chemical compound with molecular formula C13H14Br2N2O3S and molecular weight 435.91 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,5-dibromo-2-(3-methylbutanoylcarbamothioylamino)benzoic acid
Also Known As: 3,5-dibromo-2-(3-methylbutanoylcarbamothioylamino)benzoic acid, 3,5-dibromo-2-(3-methylbutanoylthiocarbamoylamino)benzoic Acid, 3,5-DIBROMO-2-[[[ AMINO]THIOXOMETHYL]AMINO]-BENZOICACID, 3,5-Dibromo-2-[[[(3-methyl-1-oxobutyl)amino]thioxomethyl ]amino]-benzoic acid
| Molecular Formula | C13H14Br2N2O3S |
|---|---|
| Molecular Weight | 435.91 g/mol |
| LogP | 3.7689 |
| Topological Polar Surface Area | 78.43 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 435.90918 |
| Heavy Atoms | 21 |
| Complexity | 591.02423 |
Chemical Identifiers
| CAS Number | 532949-19-2 |
|---|---|
| SMILES | CC(C)CC(=O)NC(=S)NC1=C(C=C(C=C1Br)Br)C(=O)O |
Product Overview
3,5-Dibromo-2-[[[(3-methyl-1-oxobutyl)amino]thioxomethyl]amino]-benzoic acid (CAS 532949-19-2), with molecular formula C13H14Br2N2O3S and molecular weight 435.91 g/mol. IUPAC: 3,5-dibromo-2-(3-methylbutanoylcarbamothioylamino)benzoic acid.
Chemical Property Profile of 3,5-Dibromo-2-[[[(3-methyl-1-oxobutyl)amino]thioxomethyl]amino]-benzoic acid
Property Insights of 3,5-Dibromo-2-[[[(3-methyl-1-oxobutyl)amino]thioxomethyl]amino]-benzoic acid
The XLogP value of 3.7689 indicates that 3,5-Dibromo-2-[[[(3-methyl-1-oxobutyl)amino]thioxomethyl]amino]-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-[[[(3-methyl-1-oxobutyl)amino]thioxomethyl]amino]-benzoic acid. Following Lipinski's Rule of Five, 3,5-Dibromo-2-[[[(3-methyl-1-oxobutyl)amino]thioxomethyl]amino]-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-[[[(3-methyl-1-oxobutyl)amino]thioxomethyl]amino]-benzoic acid?
The CAS number of 3,5-Dibromo-2-[[[(3-methyl-1-oxobutyl)amino]thioxomethyl]amino]-benzoic acid is 532949-19-2.
What is the molecular formula of 3,5-Dibromo-2-[[[(3-methyl-1-oxobutyl)amino]thioxomethyl]amino]-benzoic acid?
The molecular formula of 3,5-Dibromo-2-[[[(3-methyl-1-oxobutyl)amino]thioxomethyl]amino]-benzoic acid is C13H14Br2N2O3S.
What is the molecular weight of 3,5-Dibromo-2-[[[(3-methyl-1-oxobutyl)amino]thioxomethyl]amino]-benzoic acid?
The molecular weight of 3,5-Dibromo-2-[[[(3-methyl-1-oxobutyl)amino]thioxomethyl]amino]-benzoic acid is 435.91 g/mol.
Where can I buy 3,5-Dibromo-2-[[[(3-methyl-1-oxobutyl)amino]thioxomethyl]amino]-benzoic acid?
You can request a quote for 3,5-Dibromo-2-[[[(3-methyl-1-oxobutyl)amino]thioxomethyl]amino]-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-[[[(3-methyl-1-oxobutyl)amino]thioxomethyl]amino]-benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3,5-Dibromo-2-[[[(3-methyl-1-oxobutyl)amino]thioxomethyl]amino]-benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.