![3-[(4,5-Dihydro-1,3-thiazol-2-ylsulfanyl)methyl]-1-benzofuran-2-carboxylic acid structure](/static/products/5610/561001-98-7.webp)
3-[(4,5-Dihydro-1,3-thiazol-2-ylsulfanyl)methyl]-1-benzofuran-2-carboxylic acid
TL;DR: 3-[(4,5-Dihydro-1,3-thiazol-2-ylsulfanyl)methyl]-1-benzofuran-2-carboxylic acid (CAS 561001-98-7) is a chemical compound with molecular formula C13H11NO3S2 and molecular weight 293.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(4,5-dihydro-1,3-thiazol-2-ylsulfanylmethyl)-1-benzofuran-2-carboxylic acid
Also Known As: 3-[(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)methyl]-1-benzofuran-2-carboxylic acid, 3-[(4,5-dihydro-1,3-thiazol-2-ylthio)methyl]-1-benzofuran-2-carboxylic acid, 3-(4,5-dihydro-1,3-thiazol-2-ylsulfanylmethyl)-1-benzofuran-2-carboxylic acid, 3-(4,5-dihydro-1,3-thiazol-2-ylsulfanylmethyl)benzofuran-2-carboxylic Acid, 3-(4,5-dihydrothiazol-2-ylsulfanylmethyl)benzofuran-2-carboxylic acid
| Molecular Formula | C13H11NO3S2 |
|---|---|
| Molecular Weight | 293.02 g/mol |
| LogP | 3.467 |
| Topological Polar Surface Area | 62.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 293.01804 |
| Heavy Atoms | 19 |
| Complexity | 662.95215 |
Chemical Identifiers
| CAS Number | 561001-98-7 |
|---|---|
| SMILES | C1CSC(=N1)SCC2=C(OC3=CC=CC=C32)C(=O)O |
Product Overview
3-[(4,5-Dihydro-1,3-thiazol-2-ylsulfanyl)methyl]-1-benzofuran-2-carboxylic acid (CAS 561001-98-7), with molecular formula C13H11NO3S2 and molecular weight 293.02 g/mol. IUPAC: 3-(4,5-dihydro-1,3-thiazol-2-ylsulfanylmethyl)-1-benzofuran-2-carboxylic acid.
Chemical Property Profile of 3-[(4,5-Dihydro-1,3-thiazol-2-ylsulfanyl)methyl]-1-benzofuran-2-carboxylic acid
Property Insights of 3-[(4,5-Dihydro-1,3-thiazol-2-ylsulfanyl)methyl]-1-benzofuran-2-carboxylic acid
The XLogP value of 3.467 indicates that 3-[(4,5-Dihydro-1,3-thiazol-2-ylsulfanyl)methyl]-1-benzofuran-2-carboxylic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 62.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-[(4,5-Dihydro-1,3-thiazol-2-ylsulfanyl)methyl]-1-benzofuran-2-carboxylic acid. Following Lipinski's Rule of Five, 3-[(4,5-Dihydro-1,3-thiazol-2-ylsulfanyl)methyl]-1-benzofuran-2-carboxylic acid has 1 hydrogen bond donor(s) and 5 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-[(4,5-Dihydro-1,3-thiazol-2-ylsulfanyl)methyl]-1-benzofuran-2-carboxylic acid?
The CAS number of 3-[(4,5-Dihydro-1,3-thiazol-2-ylsulfanyl)methyl]-1-benzofuran-2-carboxylic acid is 561001-98-7.
What is the molecular formula of 3-[(4,5-Dihydro-1,3-thiazol-2-ylsulfanyl)methyl]-1-benzofuran-2-carboxylic acid?
The molecular formula of 3-[(4,5-Dihydro-1,3-thiazol-2-ylsulfanyl)methyl]-1-benzofuran-2-carboxylic acid is C13H11NO3S2.
What is the molecular weight of 3-[(4,5-Dihydro-1,3-thiazol-2-ylsulfanyl)methyl]-1-benzofuran-2-carboxylic acid?
The molecular weight of 3-[(4,5-Dihydro-1,3-thiazol-2-ylsulfanyl)methyl]-1-benzofuran-2-carboxylic acid is 293.02 g/mol.
Where can I buy 3-[(4,5-Dihydro-1,3-thiazol-2-ylsulfanyl)methyl]-1-benzofuran-2-carboxylic acid?
You can request a quote for 3-[(4,5-Dihydro-1,3-thiazol-2-ylsulfanyl)methyl]-1-benzofuran-2-carboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-[(4,5-Dihydro-1,3-thiazol-2-ylsulfanyl)methyl]-1-benzofuran-2-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-[(4,5-Dihydro-1,3-thiazol-2-ylsulfanyl)methyl]-1-benzofuran-2-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.