![2-[(4-Tert-butylbenzoyl)carbamothioylamino]-3,5-dichlorobenzoic acid structure](/static/products/5301/530131-03-4.webp)
2-[(4-Tert-butylbenzoyl)carbamothioylamino]-3,5-dichlorobenzoic acid
TL;DR: 2-[(4-Tert-butylbenzoyl)carbamothioylamino]-3,5-dichlorobenzoic acid (CAS 530131-03-4) is a chemical compound with molecular formula C19H18Cl2N2O3S and molecular weight 424.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(4-tert-butylbenzoyl)carbamothioylamino]-3,5-dichlorobenzoic acid
Also Known As: 2-[(4-tert-butylbenzoyl)carbamothioylamino]-3,5-dichlorobenzoic acid, 2-{[(4-tert-Butylbenzoyl)carbamothioyl]amino}-3,5-dichlorobenzoic acid, 3,5-dichloro-2-[(4-tert-butylbenzoyl)thiocarbamoylamino]benzoic Acid, 3,5-DICHLORO-2-[[[[4- BENZOYL]AMINO]THIOXOMETHYL]AMINO]-BENZOICACID, 3,5-DICHLORO-2-[[[[4-(1,1-DIMETHYLETHYL)BENZOYL ]AMINO]THIOXOMETHYL ]AMINO]-BENZOIC ACID
| Molecular Formula | C19H18Cl2N2O3S |
|---|---|
| Molecular Weight | 424.04 g/mol |
| LogP | 5.1159 |
| Topological Polar Surface Area | 78.43 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 424.0415 |
| Heavy Atoms | 27 |
| Complexity | 906.4062 |
Chemical Identifiers
| CAS Number | 530131-03-4 |
|---|---|
| SMILES | CC(C)(C)C1=CC=C(C=C1)C(=O)NC(=S)NC2=C(C=C(C=C2Cl)Cl)C(=O)O |
Product Overview
2-[(4-Tert-butylbenzoyl)carbamothioylamino]-3,5-dichlorobenzoic acid (CAS 530131-03-4), with molecular formula C19H18Cl2N2O3S and molecular weight 424.04 g/mol. IUPAC: 2-[(4-tert-butylbenzoyl)carbamothioylamino]-3,5-dichlorobenzoic acid.
Chemical Property Profile of 2-[(4-Tert-butylbenzoyl)carbamothioylamino]-3,5-dichlorobenzoic acid
Property Insights of 2-[(4-Tert-butylbenzoyl)carbamothioylamino]-3,5-dichlorobenzoic acid
The XLogP value of 5.1159 indicates that 2-[(4-Tert-butylbenzoyl)carbamothioylamino]-3,5-dichlorobenzoic 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 2-[(4-Tert-butylbenzoyl)carbamothioylamino]-3,5-dichlorobenzoic acid. Following Lipinski's Rule of Five, 2-[(4-Tert-butylbenzoyl)carbamothioylamino]-3,5-dichlorobenzoic acid has 3 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-[(4-Tert-butylbenzoyl)carbamothioylamino]-3,5-dichlorobenzoic acid?
The CAS number of 2-[(4-Tert-butylbenzoyl)carbamothioylamino]-3,5-dichlorobenzoic acid is 530131-03-4.
What is the molecular formula of 2-[(4-Tert-butylbenzoyl)carbamothioylamino]-3,5-dichlorobenzoic acid?
The molecular formula of 2-[(4-Tert-butylbenzoyl)carbamothioylamino]-3,5-dichlorobenzoic acid is C19H18Cl2N2O3S.
What is the molecular weight of 2-[(4-Tert-butylbenzoyl)carbamothioylamino]-3,5-dichlorobenzoic acid?
The molecular weight of 2-[(4-Tert-butylbenzoyl)carbamothioylamino]-3,5-dichlorobenzoic acid is 424.04 g/mol.
Where can I buy 2-[(4-Tert-butylbenzoyl)carbamothioylamino]-3,5-dichlorobenzoic acid?
You can request a quote for 2-[(4-Tert-butylbenzoyl)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-[(4-Tert-butylbenzoyl)carbamothioylamino]-3,5-dichlorobenzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-[(4-Tert-butylbenzoyl)carbamothioylamino]-3,5-dichlorobenzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.