2-(2,3-Dihydro-1-benzofuran-5-yl)-4-methyl-1,3-thiazole-5-carboxylic acid
TL;DR: 2-(2,3-Dihydro-1-benzofuran-5-yl)-4-methyl-1,3-thiazole-5-carboxylic acid (CAS 690632-04-3) is a chemical compound with molecular formula C13H11NO3S and molecular weight 261.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(2,3-dihydro-1-benzofuran-5-yl)-4-methyl-1,3-thiazole-5-carboxylic acid
Also Known As: 2-(2,3-dihydro-1-benzofuran-5-yl)-4-methyl-1,3-thiazole-5-carboxylic acid, 4-chloromethyl-1,3-oxazole hydrochloride, 2-(2,3-Dihydrobenzofuran-5-yl)-4-methylthiazole-5-carboxylic acid, 2- -4-METHYL-1,3-THIAZOLE-5-CARBOXYLICACID, I14-60476
| Molecular Formula | C13H11NO3S |
|---|---|
| Molecular Weight | 261.05 g/mol |
| LogP | 2.75162 |
| Topological Polar Surface Area | 59.42 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 261.04596 |
| Heavy Atoms | 18 |
| Complexity | 633.16174 |
Chemical Identifiers
| CAS Number | 690632-04-3 |
|---|---|
| SMILES | CC1=C(SC(=N1)C2=CC3=C(C=C2)OCC3)C(=O)O |
Product Overview
2-(2,3-Dihydro-1-benzofuran-5-yl)-4-methyl-1,3-thiazole-5-carboxylic acid (CAS 690632-04-3), with molecular formula C13H11NO3S and molecular weight 261.05 g/mol. IUPAC: 2-(2,3-dihydro-1-benzofuran-5-yl)-4-methyl-1,3-thiazole-5-carboxylic acid.
Chemical Property Profile of 2-(2,3-Dihydro-1-benzofuran-5-yl)-4-methyl-1,3-thiazole-5-carboxylic acid
Property Insights of 2-(2,3-Dihydro-1-benzofuran-5-yl)-4-methyl-1,3-thiazole-5-carboxylic acid
The XLogP value of 2.75162 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(2,3-Dihydro-1-benzofuran-5-yl)-4-methyl-1,3-thiazole-5-carboxylic acid. With a topological polar surface area (TPSA) of 59.42 Ų, 2-(2,3-Dihydro-1-benzofuran-5-yl)-4-methyl-1,3-thiazole-5-carboxylic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(2,3-Dihydro-1-benzofuran-5-yl)-4-methyl-1,3-thiazole-5-carboxylic acid has 1 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-(2,3-Dihydro-1-benzofuran-5-yl)-4-methyl-1,3-thiazole-5-carboxylic acid?
The CAS number of 2-(2,3-Dihydro-1-benzofuran-5-yl)-4-methyl-1,3-thiazole-5-carboxylic acid is 690632-04-3.
What is the molecular formula of 2-(2,3-Dihydro-1-benzofuran-5-yl)-4-methyl-1,3-thiazole-5-carboxylic acid?
The molecular formula of 2-(2,3-Dihydro-1-benzofuran-5-yl)-4-methyl-1,3-thiazole-5-carboxylic acid is C13H11NO3S.
What is the molecular weight of 2-(2,3-Dihydro-1-benzofuran-5-yl)-4-methyl-1,3-thiazole-5-carboxylic acid?
The molecular weight of 2-(2,3-Dihydro-1-benzofuran-5-yl)-4-methyl-1,3-thiazole-5-carboxylic acid is 261.05 g/mol.
Where can I buy 2-(2,3-Dihydro-1-benzofuran-5-yl)-4-methyl-1,3-thiazole-5-carboxylic acid?
You can request a quote for 2-(2,3-Dihydro-1-benzofuran-5-yl)-4-methyl-1,3-thiazole-5-carboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(2,3-Dihydro-1-benzofuran-5-yl)-4-methyl-1,3-thiazole-5-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-(2,3-Dihydro-1-benzofuran-5-yl)-4-methyl-1,3-thiazole-5-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.