Benzofuran-2-carboxylic acid 4-(benzooxazol-2-ylsulfanyl)-but-2-ynyl ester
TL;DR: Benzofuran-2-carboxylic acid 4-(benzooxazol-2-ylsulfanyl)-but-2-ynyl ester (CAS 669716-19-2) is a chemical compound with molecular formula C20H13NO4S and molecular weight 363.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(1,3-benzoxazol-2-ylsulfanyl)but-2-ynyl 1-benzofuran-2-carboxylate
Also Known As: BAS 05496112, BRD-K31814697-001-08-3, 4-(1,3-benzoxazol-2-ylsulfanyl)but-2-yn-1-yl 1-benzofuran-2-carboxylate, Benzofuran-2-carboxylic acid 4-(benzooxazol-2-ylsulfanyl)-but-2-ynyl ester, 4-(benzo[d]oxazol-2-ylthio)but-2-yn-1-yl benzofuran-2-carboxylate
| Molecular Formula | C20H13NO4S |
|---|---|
| Molecular Weight | 363.06 g/mol |
| LogP | 4.5265 |
| Topological Polar Surface Area | 65.47 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 363.05652 |
| Heavy Atoms | 26 |
| Complexity | 1066.5892 |
Chemical Identifiers
| CAS Number | 669716-19-2 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C=C(O2)C(=O)OCC#CCSC3=NC4=CC=CC=C4O3 |
Product Overview
Benzofuran-2-carboxylic acid 4-(benzooxazol-2-ylsulfanyl)-but-2-ynyl ester (CAS 669716-19-2), with molecular formula C20H13NO4S and molecular weight 363.06 g/mol. IUPAC: 4-(1,3-benzoxazol-2-ylsulfanyl)but-2-ynyl 1-benzofuran-2-carboxylate.
Chemical Property Profile of Benzofuran-2-carboxylic acid 4-(benzooxazol-2-ylsulfanyl)-but-2-ynyl ester
Property Insights of Benzofuran-2-carboxylic acid 4-(benzooxazol-2-ylsulfanyl)-but-2-ynyl ester
The XLogP value of 4.5265 indicates that Benzofuran-2-carboxylic acid 4-(benzooxazol-2-ylsulfanyl)-but-2-ynyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 65.47 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzofuran-2-carboxylic acid 4-(benzooxazol-2-ylsulfanyl)-but-2-ynyl ester. Following Lipinski's Rule of Five, Benzofuran-2-carboxylic acid 4-(benzooxazol-2-ylsulfanyl)-but-2-ynyl ester has 0 hydrogen bond donor(s) and 6 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 Benzofuran-2-carboxylic acid 4-(benzooxazol-2-ylsulfanyl)-but-2-ynyl ester?
The CAS number of Benzofuran-2-carboxylic acid 4-(benzooxazol-2-ylsulfanyl)-but-2-ynyl ester is 669716-19-2.
What is the molecular formula of Benzofuran-2-carboxylic acid 4-(benzooxazol-2-ylsulfanyl)-but-2-ynyl ester?
The molecular formula of Benzofuran-2-carboxylic acid 4-(benzooxazol-2-ylsulfanyl)-but-2-ynyl ester is C20H13NO4S.
What is the molecular weight of Benzofuran-2-carboxylic acid 4-(benzooxazol-2-ylsulfanyl)-but-2-ynyl ester?
The molecular weight of Benzofuran-2-carboxylic acid 4-(benzooxazol-2-ylsulfanyl)-but-2-ynyl ester is 363.06 g/mol.
Where can I buy Benzofuran-2-carboxylic acid 4-(benzooxazol-2-ylsulfanyl)-but-2-ynyl ester?
You can request a quote for Benzofuran-2-carboxylic acid 4-(benzooxazol-2-ylsulfanyl)-but-2-ynyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzofuran-2-carboxylic acid 4-(benzooxazol-2-ylsulfanyl)-but-2-ynyl ester?
Yes, KEHONG BIO provides custom synthesis services for Benzofuran-2-carboxylic acid 4-(benzooxazol-2-ylsulfanyl)-but-2-ynyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.