![2-[(5-bromo-2-methoxybenzoyl)carbamothioylamino]-3,5-dichlorobenzoic acid structure](/static/products/5863/586391-91-5.webp)
2-[(5-bromo-2-methoxybenzoyl)carbamothioylamino]-3,5-dichlorobenzoic acid
TL;DR: 2-[(5-bromo-2-methoxybenzoyl)carbamothioylamino]-3,5-dichlorobenzoic acid (CAS 586391-91-5) is a chemical compound with molecular formula C16H11BrCl2N2O4S and molecular weight 475.90 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(5-bromo-2-methoxybenzoyl)carbamothioylamino]-3,5-dichlorobenzoic acid
Also Known As: 2-[(5-bromo-2-methoxybenzoyl)carbamothioylamino]-3,5-dichlorobenzoic acid, 2-[(5-bromo-2-methoxy-benzoyl)thiocarbamoylamino]-3,5-dichloro-benzoic Acid, 2-[[[(5-BROMO-2-METHOXYBENZOYL)AMINO]THIOXOMETHYL ]AMINO]-3,5-DICHLORO-BENZOIC ACID
| Molecular Formula | C16H11BrCl2N2O4S |
|---|---|
| Molecular Weight | 475.90 g/mol |
| LogP | 4.5895 |
| Topological Polar Surface Area | 87.66 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 475.9 |
| Heavy Atoms | 26 |
| Complexity | 908.0588 |
Chemical Identifiers
| CAS Number | 586391-91-5 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)Br)C(=O)NC(=S)NC2=C(C=C(C=C2Cl)Cl)C(=O)O |
Product Overview
2-[(5-bromo-2-methoxybenzoyl)carbamothioylamino]-3,5-dichlorobenzoic acid (CAS 586391-91-5), with molecular formula C16H11BrCl2N2O4S and molecular weight 475.90 g/mol. IUPAC: 2-[(5-bromo-2-methoxybenzoyl)carbamothioylamino]-3,5-dichlorobenzoic acid.
Chemical Property Profile of 2-[(5-bromo-2-methoxybenzoyl)carbamothioylamino]-3,5-dichlorobenzoic acid
Property Insights of 2-[(5-bromo-2-methoxybenzoyl)carbamothioylamino]-3,5-dichlorobenzoic acid
The XLogP value of 4.5895 indicates that 2-[(5-bromo-2-methoxybenzoyl)carbamothioylamino]-3,5-dichlorobenzoic 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 2-[(5-bromo-2-methoxybenzoyl)carbamothioylamino]-3,5-dichlorobenzoic acid. Following Lipinski's Rule of Five, 2-[(5-bromo-2-methoxybenzoyl)carbamothioylamino]-3,5-dichlorobenzoic 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 2-[(5-bromo-2-methoxybenzoyl)carbamothioylamino]-3,5-dichlorobenzoic acid?
The CAS number of 2-[(5-bromo-2-methoxybenzoyl)carbamothioylamino]-3,5-dichlorobenzoic acid is 586391-91-5.
What is the molecular formula of 2-[(5-bromo-2-methoxybenzoyl)carbamothioylamino]-3,5-dichlorobenzoic acid?
The molecular formula of 2-[(5-bromo-2-methoxybenzoyl)carbamothioylamino]-3,5-dichlorobenzoic acid is C16H11BrCl2N2O4S.
What is the molecular weight of 2-[(5-bromo-2-methoxybenzoyl)carbamothioylamino]-3,5-dichlorobenzoic acid?
The molecular weight of 2-[(5-bromo-2-methoxybenzoyl)carbamothioylamino]-3,5-dichlorobenzoic acid is 475.90 g/mol.
Where can I buy 2-[(5-bromo-2-methoxybenzoyl)carbamothioylamino]-3,5-dichlorobenzoic acid?
You can request a quote for 2-[(5-bromo-2-methoxybenzoyl)carbamothioylamino]-3,5-dichlorobenzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[(5-bromo-2-methoxybenzoyl)carbamothioylamino]-3,5-dichlorobenzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-[(5-bromo-2-methoxybenzoyl)carbamothioylamino]-3,5-dichlorobenzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.