Ethyl 5-(acetyloxy)-2-(thiocyanatomethyl)-1-benzofuran-3-carboxylate
TL;DR: Ethyl 5-(acetyloxy)-2-(thiocyanatomethyl)-1-benzofuran-3-carboxylate (CAS 327169-58-4) is a chemical compound with molecular formula C15H13NO5S and molecular weight 319.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 5-acetyloxy-2-(thiocyanatomethyl)-1-benzofuran-3-carboxylate
Also Known As: ChemDiv2_004083, BAS 02098834, IDI1_002798, AH-262/31841001, ethyl 5-acetoxy-2-(thiocyanatomethyl)benzofuran-3-carboxylate
| Molecular Formula | C15H13NO5S |
|---|---|
| Molecular Weight | 319.05 g/mol |
| LogP | 3.24908 |
| Topological Polar Surface Area | 89.53 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 319.05145 |
| Heavy Atoms | 22 |
| Complexity | 759.11395 |
Chemical Identifiers
| CAS Number | 327169-58-4 |
|---|---|
| SMILES | CCOC(=O)C1=C(OC2=C1C=C(C=C2)OC(=O)C)CSC#N |
Product Overview
Ethyl 5-(acetyloxy)-2-(thiocyanatomethyl)-1-benzofuran-3-carboxylate (CAS 327169-58-4), with molecular formula C15H13NO5S and molecular weight 319.05 g/mol. IUPAC: ethyl 5-acetyloxy-2-(thiocyanatomethyl)-1-benzofuran-3-carboxylate.
Chemical Property Profile of Ethyl 5-(acetyloxy)-2-(thiocyanatomethyl)-1-benzofuran-3-carboxylate
Property Insights of Ethyl 5-(acetyloxy)-2-(thiocyanatomethyl)-1-benzofuran-3-carboxylate
The XLogP value of 3.24908 indicates that Ethyl 5-(acetyloxy)-2-(thiocyanatomethyl)-1-benzofuran-3-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 89.53 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 5-(acetyloxy)-2-(thiocyanatomethyl)-1-benzofuran-3-carboxylate. Following Lipinski's Rule of Five, Ethyl 5-(acetyloxy)-2-(thiocyanatomethyl)-1-benzofuran-3-carboxylate has 0 hydrogen bond donor(s) and 7 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 Ethyl 5-(acetyloxy)-2-(thiocyanatomethyl)-1-benzofuran-3-carboxylate?
The CAS number of Ethyl 5-(acetyloxy)-2-(thiocyanatomethyl)-1-benzofuran-3-carboxylate is 327169-58-4.
What is the molecular formula of Ethyl 5-(acetyloxy)-2-(thiocyanatomethyl)-1-benzofuran-3-carboxylate?
The molecular formula of Ethyl 5-(acetyloxy)-2-(thiocyanatomethyl)-1-benzofuran-3-carboxylate is C15H13NO5S.
What is the molecular weight of Ethyl 5-(acetyloxy)-2-(thiocyanatomethyl)-1-benzofuran-3-carboxylate?
The molecular weight of Ethyl 5-(acetyloxy)-2-(thiocyanatomethyl)-1-benzofuran-3-carboxylate is 319.05 g/mol.
Where can I buy Ethyl 5-(acetyloxy)-2-(thiocyanatomethyl)-1-benzofuran-3-carboxylate?
You can request a quote for Ethyl 5-(acetyloxy)-2-(thiocyanatomethyl)-1-benzofuran-3-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 5-(acetyloxy)-2-(thiocyanatomethyl)-1-benzofuran-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 5-(acetyloxy)-2-(thiocyanatomethyl)-1-benzofuran-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.