Ethyl 3-(hydroxymethyl)benzofuran-2-carboxylate
TL;DR: Ethyl 3-(hydroxymethyl)benzofuran-2-carboxylate (CAS 67713-97-7) is a chemical compound with molecular formula C12H12O4 and molecular weight 220.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 3-(hydroxymethyl)-1-benzofuran-2-carboxylate
Also Known As: ChemDiv3_000472, ethyl 3-(hydroxymethyl)benzofuran-2-carboxylate, ethyl 3-(hydroxymethyl)-1-benzofuran-2-carboxylate, BRD-K65404253-001-01-3
| Molecular Formula | C12H12O4 |
|---|---|
| Molecular Weight | 220.07 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 59.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 220.07356 |
| Heavy Atoms | 16 |
| Complexity | 253.0 |
Chemical Identifiers
| CAS Number | 67713-97-7 |
|---|---|
| SMILES | CCOC(=O)C1=C(C2=CC=CC=C2O1)CO |
| InChIKey | BPYUKPVQXNBCFH-UHFFFAOYSA-N |
Product Overview
Ethyl 3-(hydroxymethyl)benzofuran-2-carboxylate (CAS 67713-97-7), with molecular formula C12H12O4 and molecular weight 220.07 g/mol. IUPAC: ethyl 3-(hydroxymethyl)-1-benzofuran-2-carboxylate.
Chemical Property Profile of Ethyl 3-(hydroxymethyl)benzofuran-2-carboxylate
Property Insights of Ethyl 3-(hydroxymethyl)benzofuran-2-carboxylate
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 3-(hydroxymethyl)benzofuran-2-carboxylate. With a topological polar surface area (TPSA) of 59.7 Ų, Ethyl 3-(hydroxymethyl)benzofuran-2-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 3-(hydroxymethyl)benzofuran-2-carboxylate 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 Ethyl 3-(hydroxymethyl)benzofuran-2-carboxylate?
The CAS number of Ethyl 3-(hydroxymethyl)benzofuran-2-carboxylate is 67713-97-7.
What is the molecular formula of Ethyl 3-(hydroxymethyl)benzofuran-2-carboxylate?
The molecular formula of Ethyl 3-(hydroxymethyl)benzofuran-2-carboxylate is C12H12O4.
What is the molecular weight of Ethyl 3-(hydroxymethyl)benzofuran-2-carboxylate?
The molecular weight of Ethyl 3-(hydroxymethyl)benzofuran-2-carboxylate is 220.07 g/mol.
Where can I buy Ethyl 3-(hydroxymethyl)benzofuran-2-carboxylate?
You can request a quote for Ethyl 3-(hydroxymethyl)benzofuran-2-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 3-(hydroxymethyl)benzofuran-2-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 3-(hydroxymethyl)benzofuran-2-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.