![2-[[[(2-Benzofuranylcarbonyl)amino]thioxomethyl]amino]-3,5-dichloro-benzoic acid structure](/static/products/530/530147-46-7.png)
2-[[[(2-Benzofuranylcarbonyl)amino]thioxomethyl]amino]-3,5-dichloro-benzoic acid
TL;DR: 2-[[[(2-Benzofuranylcarbonyl)amino]thioxomethyl]amino]-3,5-dichloro-benzoic acid (CAS 530147-46-7) is a chemical compound with molecular formula C17H10Cl2N2O4S and molecular weight 407.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(1-benzofuran-2-carbonylcarbamothioylamino)-3,5-dichlorobenzoic acid
Also Known As: 2-(1-benzofuran-2-carbonylcarbamothioylamino)-3,5-dichlorobenzoic acid, 2-(benzofuran-2-carbonylthiocarbamoylamino)-3,5-dichloro-benzoic Acid, 2-[[[(2-Benzofuranylcarbonyl)amino]thioxomethyl ]amino]-3,5-dichloro-benzoic acid
| Molecular Formula | C17H10Cl2N2O4S |
|---|---|
| Molecular Weight | 407.97 g/mol |
| LogP | 4.5646 |
| Topological Polar Surface Area | 91.57 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 407.97385 |
| Heavy Atoms | 26 |
| Complexity | 1015.41895 |
Chemical Identifiers
| CAS Number | 530147-46-7 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C=C(O2)C(=O)NC(=S)NC3=C(C=C(C=C3Cl)Cl)C(=O)O |
Product Overview
2-[[[(2-Benzofuranylcarbonyl)amino]thioxomethyl]amino]-3,5-dichloro-benzoic acid (CAS 530147-46-7), with molecular formula C17H10Cl2N2O4S and molecular weight 407.97 g/mol. IUPAC: 2-(1-benzofuran-2-carbonylcarbamothioylamino)-3,5-dichlorobenzoic acid.
Chemical Property Profile of 2-[[[(2-Benzofuranylcarbonyl)amino]thioxomethyl]amino]-3,5-dichloro-benzoic acid
Property Insights of 2-[[[(2-Benzofuranylcarbonyl)amino]thioxomethyl]amino]-3,5-dichloro-benzoic acid
The XLogP value of 4.5646 indicates that 2-[[[(2-Benzofuranylcarbonyl)amino]thioxomethyl]amino]-3,5-dichloro-benzoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 91.57 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[[[(2-Benzofuranylcarbonyl)amino]thioxomethyl]amino]-3,5-dichloro-benzoic acid. Following Lipinski's Rule of Five, 2-[[[(2-Benzofuranylcarbonyl)amino]thioxomethyl]amino]-3,5-dichloro-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 2-[[[(2-Benzofuranylcarbonyl)amino]thioxomethyl]amino]-3,5-dichloro-benzoic acid?
The CAS number of 2-[[[(2-Benzofuranylcarbonyl)amino]thioxomethyl]amino]-3,5-dichloro-benzoic acid is 530147-46-7.
What is the molecular formula of 2-[[[(2-Benzofuranylcarbonyl)amino]thioxomethyl]amino]-3,5-dichloro-benzoic acid?
The molecular formula of 2-[[[(2-Benzofuranylcarbonyl)amino]thioxomethyl]amino]-3,5-dichloro-benzoic acid is C17H10Cl2N2O4S.
What is the molecular weight of 2-[[[(2-Benzofuranylcarbonyl)amino]thioxomethyl]amino]-3,5-dichloro-benzoic acid?
The molecular weight of 2-[[[(2-Benzofuranylcarbonyl)amino]thioxomethyl]amino]-3,5-dichloro-benzoic acid is 407.97 g/mol.
Where can I buy 2-[[[(2-Benzofuranylcarbonyl)amino]thioxomethyl]amino]-3,5-dichloro-benzoic acid?
You can request a quote for 2-[[[(2-Benzofuranylcarbonyl)amino]thioxomethyl]amino]-3,5-dichloro-benzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[[[(2-Benzofuranylcarbonyl)amino]thioxomethyl]amino]-3,5-dichloro-benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-[[[(2-Benzofuranylcarbonyl)amino]thioxomethyl]amino]-3,5-dichloro-benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.