![3,5-Dibromo-2-[[[[(3-methylphenoxy)acetyl]amino]thioxomethyl]amino]-benzoic acid structure](/static/products/5301/530154-89-3.webp)
3,5-Dibromo-2-[[[[(3-methylphenoxy)acetyl]amino]thioxomethyl]amino]-benzoic acid
TL;DR: 3,5-Dibromo-2-[[[[(3-methylphenoxy)acetyl]amino]thioxomethyl]amino]-benzoic acid (CAS 530154-89-3) is a chemical compound with molecular formula C17H14Br2N2O4S and molecular weight 499.90 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,5-dibromo-2-[[2-(3-methylphenoxy)acetyl]carbamothioylamino]benzoic acid
Also Known As: 3,5-dibromo-2-[[2-(3-methylphenoxy)acetyl]carbamothioylamino]benzoic acid, 3,5-dibromo-2-[[2-(3-methylphenoxy)acetyl]thiocarbamoylamino]benzoic Acid, 3,5-Dibromo-2-[[[[(3-methylphenoxy)acetyl ]amino]thioxomethyl ]amino]-benzoic acid
| Molecular Formula | C17H14Br2N2O4S |
|---|---|
| Molecular Weight | 499.90 g/mol |
| LogP | 4.11022 |
| Topological Polar Surface Area | 87.66 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 499.9041 |
| Heavy Atoms | 26 |
| Complexity | 873.83655 |
Chemical Identifiers
| CAS Number | 530154-89-3 |
|---|---|
| SMILES | CC1=CC(=CC=C1)OCC(=O)NC(=S)NC2=C(C=C(C=C2Br)Br)C(=O)O |
Product Overview
3,5-Dibromo-2-[[[[(3-methylphenoxy)acetyl]amino]thioxomethyl]amino]-benzoic acid (CAS 530154-89-3), with molecular formula C17H14Br2N2O4S and molecular weight 499.90 g/mol. IUPAC: 3,5-dibromo-2-[[2-(3-methylphenoxy)acetyl]carbamothioylamino]benzoic acid.
Chemical Property Profile of 3,5-Dibromo-2-[[[[(3-methylphenoxy)acetyl]amino]thioxomethyl]amino]-benzoic acid
Property Insights of 3,5-Dibromo-2-[[[[(3-methylphenoxy)acetyl]amino]thioxomethyl]amino]-benzoic acid
The XLogP value of 4.11022 indicates that 3,5-Dibromo-2-[[[[(3-methylphenoxy)acetyl]amino]thioxomethyl]amino]-benzoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 87.66 Ų falls within the moderate polarity range, balancing permeability and solubility for 3,5-Dibromo-2-[[[[(3-methylphenoxy)acetyl]amino]thioxomethyl]amino]-benzoic acid. Following Lipinski's Rule of Five, 3,5-Dibromo-2-[[[[(3-methylphenoxy)acetyl]amino]thioxomethyl]amino]-benzoic acid has 3 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 3,5-Dibromo-2-[[[[(3-methylphenoxy)acetyl]amino]thioxomethyl]amino]-benzoic acid?
The CAS number of 3,5-Dibromo-2-[[[[(3-methylphenoxy)acetyl]amino]thioxomethyl]amino]-benzoic acid is 530154-89-3.
What is the molecular formula of 3,5-Dibromo-2-[[[[(3-methylphenoxy)acetyl]amino]thioxomethyl]amino]-benzoic acid?
The molecular formula of 3,5-Dibromo-2-[[[[(3-methylphenoxy)acetyl]amino]thioxomethyl]amino]-benzoic acid is C17H14Br2N2O4S.
What is the molecular weight of 3,5-Dibromo-2-[[[[(3-methylphenoxy)acetyl]amino]thioxomethyl]amino]-benzoic acid?
The molecular weight of 3,5-Dibromo-2-[[[[(3-methylphenoxy)acetyl]amino]thioxomethyl]amino]-benzoic acid is 499.90 g/mol.
Where can I buy 3,5-Dibromo-2-[[[[(3-methylphenoxy)acetyl]amino]thioxomethyl]amino]-benzoic acid?
You can request a quote for 3,5-Dibromo-2-[[[[(3-methylphenoxy)acetyl]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-methylphenoxy)acetyl]amino]thioxomethyl]amino]-benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3,5-Dibromo-2-[[[[(3-methylphenoxy)acetyl]amino]thioxomethyl]amino]-benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.