![5-BROMO-2-[[[[[5-METHYL-2- PHENOXY]ACETYL]AMINO]THIOXOMETHYL]AMINO]-BENZOICACID structure](/static/products/5301/530155-28-3.webp)
5-BROMO-2-[[[[[5-METHYL-2- PHENOXY]ACETYL]AMINO]THIOXOMETHYL]AMINO]-BENZOICACID
TL;DR: 5-BROMO-2-[[[[[5-METHYL-2- PHENOXY]ACETYL]AMINO]THIOXOMETHYL]AMINO]-BENZOICACID (CAS 530155-28-3) is a chemical compound with molecular formula C20H21BrN2O4S and molecular weight 464.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-bromo-2-[[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]carbamothioylamino]benzoic acid
Also Known As: 5-BROMO-2-[[[[[5-METHYL-2- PHENOXY]ACETYL]AMINO]THIOXOMETHYL]AMINO]-BENZOICACID, 5-bromo-2-[[2-(5-methyl-2-propan-2-yl-phenoxy)acetyl]thiocarbamoylamino]benzoic Acid, 5-bromo-2-[[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]carbamothioylamino]benzoic acid, 5-Bromo-2-[[[[[5-methyl-2-(1-methylethyl)phenoxy]acetyl ]amino]thioxomethyl ]amino]-benzoic acid
| Molecular Formula | C20H21BrN2O4S |
|---|---|
| Molecular Weight | 464.04 g/mol |
| LogP | 4.47112 |
| Topological Polar Surface Area | 87.66 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 464.04053 |
| Heavy Atoms | 28 |
| Complexity | 915.07385 |
Chemical Identifiers
| CAS Number | 530155-28-3 |
|---|---|
| SMILES | CC1=CC(=C(C=C1)C(C)C)OCC(=O)NC(=S)NC2=C(C=C(C=C2)Br)C(=O)O |
Product Overview
5-BROMO-2-[[[[[5-METHYL-2- PHENOXY]ACETYL]AMINO]THIOXOMETHYL]AMINO]-BENZOICACID (CAS 530155-28-3), with molecular formula C20H21BrN2O4S and molecular weight 464.04 g/mol. IUPAC: 5-bromo-2-[[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]carbamothioylamino]benzoic acid.
Chemical Property Profile of 5-BROMO-2-[[[[[5-METHYL-2- PHENOXY]ACETYL]AMINO]THIOXOMETHYL]AMINO]-BENZOICACID
Property Insights of 5-BROMO-2-[[[[[5-METHYL-2- PHENOXY]ACETYL]AMINO]THIOXOMETHYL]AMINO]-BENZOICACID
The XLogP value of 4.47112 indicates that 5-BROMO-2-[[[[[5-METHYL-2- PHENOXY]ACETYL]AMINO]THIOXOMETHYL]AMINO]-BENZOICACID 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 5-BROMO-2-[[[[[5-METHYL-2- PHENOXY]ACETYL]AMINO]THIOXOMETHYL]AMINO]-BENZOICACID. Following Lipinski's Rule of Five, 5-BROMO-2-[[[[[5-METHYL-2- PHENOXY]ACETYL]AMINO]THIOXOMETHYL]AMINO]-BENZOICACID 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 5-BROMO-2-[[[[[5-METHYL-2- PHENOXY]ACETYL]AMINO]THIOXOMETHYL]AMINO]-BENZOICACID?
The CAS number of 5-BROMO-2-[[[[[5-METHYL-2- PHENOXY]ACETYL]AMINO]THIOXOMETHYL]AMINO]-BENZOICACID is 530155-28-3.
What is the molecular formula of 5-BROMO-2-[[[[[5-METHYL-2- PHENOXY]ACETYL]AMINO]THIOXOMETHYL]AMINO]-BENZOICACID?
The molecular formula of 5-BROMO-2-[[[[[5-METHYL-2- PHENOXY]ACETYL]AMINO]THIOXOMETHYL]AMINO]-BENZOICACID is C20H21BrN2O4S.
What is the molecular weight of 5-BROMO-2-[[[[[5-METHYL-2- PHENOXY]ACETYL]AMINO]THIOXOMETHYL]AMINO]-BENZOICACID?
The molecular weight of 5-BROMO-2-[[[[[5-METHYL-2- PHENOXY]ACETYL]AMINO]THIOXOMETHYL]AMINO]-BENZOICACID is 464.04 g/mol.
Where can I buy 5-BROMO-2-[[[[[5-METHYL-2- PHENOXY]ACETYL]AMINO]THIOXOMETHYL]AMINO]-BENZOICACID?
You can request a quote for 5-BROMO-2-[[[[[5-METHYL-2- PHENOXY]ACETYL]AMINO]THIOXOMETHYL]AMINO]-BENZOICACID directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-BROMO-2-[[[[[5-METHYL-2- PHENOXY]ACETYL]AMINO]THIOXOMETHYL]AMINO]-BENZOICACID?
Yes, KEHONG BIO provides custom synthesis services for 5-BROMO-2-[[[[[5-METHYL-2- PHENOXY]ACETYL]AMINO]THIOXOMETHYL]AMINO]-BENZOICACID and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.