2-Benzofuranacetic acid, alpha-(2-hydroxyphenyl)-, methyl ester
TL;DR: 2-Benzofuranacetic acid, alpha-(2-hydroxyphenyl)-, methyl ester (CAS 40800-99-5) is a chemical compound with molecular formula C17H14O4 and molecular weight 282.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-(1-benzofuran-2-yl)-2-(2-hydroxyphenyl)acetate
Also Known As: Methyl 1-benzofuran-2-yl(2-hydroxyphenyl)acetate, Methyl-1-benzofurane-2-yl(2-hydroxyphenyl)acetate, Methyl 1-benzofuran-2-yl(2-hydroxyphenyl)acetate #, methyl 2-(1-benzofuran-2-yl)-2-(2-hydroxyphenyl)acetate, 2-Benzofuranacetic acid, .alpha.-(2-hydroxyphenyl)-, methyl ester
| Molecular Formula | C17H14O4 |
|---|---|
| Molecular Weight | 282.09 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 59.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 282.0892 |
| Heavy Atoms | 21 |
| Complexity | 370.0 |
Chemical Identifiers
| CAS Number | 40800-99-5 |
|---|---|
| SMILES | COC(=O)C(C1=CC=CC=C1O)C2=CC3=CC=CC=C3O2 |
| InChIKey | GRGLJXOEWKNDPH-UHFFFAOYSA-N |
Product Overview
2-Benzofuranacetic acid, alpha-(2-hydroxyphenyl)-, methyl ester (CAS 40800-99-5), with molecular formula C17H14O4 and molecular weight 282.09 g/mol. IUPAC: methyl 2-(1-benzofuran-2-yl)-2-(2-hydroxyphenyl)acetate.
Chemical Property Profile of 2-Benzofuranacetic acid, alpha-(2-hydroxyphenyl)-, methyl ester
Property Insights of 2-Benzofuranacetic acid, alpha-(2-hydroxyphenyl)-, methyl ester
The XLogP value of 3.5 indicates that 2-Benzofuranacetic acid, alpha-(2-hydroxyphenyl)-, methyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 59.7 Ų, 2-Benzofuranacetic acid, alpha-(2-hydroxyphenyl)-, methyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Benzofuranacetic acid, alpha-(2-hydroxyphenyl)-, methyl ester 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-Benzofuranacetic acid, alpha-(2-hydroxyphenyl)-, methyl ester?
The CAS number of 2-Benzofuranacetic acid, alpha-(2-hydroxyphenyl)-, methyl ester is 40800-99-5.
What is the molecular formula of 2-Benzofuranacetic acid, alpha-(2-hydroxyphenyl)-, methyl ester?
The molecular formula of 2-Benzofuranacetic acid, alpha-(2-hydroxyphenyl)-, methyl ester is C17H14O4.
What is the molecular weight of 2-Benzofuranacetic acid, alpha-(2-hydroxyphenyl)-, methyl ester?
The molecular weight of 2-Benzofuranacetic acid, alpha-(2-hydroxyphenyl)-, methyl ester is 282.09 g/mol.
Where can I buy 2-Benzofuranacetic acid, alpha-(2-hydroxyphenyl)-, methyl ester?
You can request a quote for 2-Benzofuranacetic acid, alpha-(2-hydroxyphenyl)-, methyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Benzofuranacetic acid, alpha-(2-hydroxyphenyl)-, methyl ester?
Yes, KEHONG BIO provides custom synthesis services for 2-Benzofuranacetic acid, alpha-(2-hydroxyphenyl)-, methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.