3-(2-(2,5-dihydroxyphenyl)-2-oxoethyl)isobenzofuran-1(3H)-one
TL;DR: 3-(2-(2,5-dihydroxyphenyl)-2-oxoethyl)isobenzofuran-1(3H)-one (CAS 423746-49-0) is a chemical compound with molecular formula C16H12O5 and molecular weight 284.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[2-(2,5-dihydroxyphenyl)-2-oxoethyl]-3H-2-benzofuran-1-one
Also Known As: VU0510834-1, 3-(2-(2,5-dihydroxyphenyl)-2-oxoethyl)isobenzofuran-1(3H)-one, 3-[2-(2,5-dihydroxyphenyl)-2-oxoethyl]-3H-2-benzofuran-1-one, 3-[2-(2,5-dihydroxyphenyl)-2-oxoethyl]-1,3-dihydro-2-benzofuran-1-one, F3161-0012
| Molecular Formula | C16H12O5 |
|---|---|
| Molecular Weight | 284.07 g/mol |
| LogP | 2.5823 |
| Topological Polar Surface Area | 83.83 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 284.06848 |
| Heavy Atoms | 21 |
| Complexity | 735.19727 |
Chemical Identifiers
| CAS Number | 423746-49-0 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(OC2=O)CC(=O)C3=C(C=CC(=C3)O)O |
Product Overview
3-(2-(2,5-dihydroxyphenyl)-2-oxoethyl)isobenzofuran-1(3H)-one (CAS 423746-49-0), with molecular formula C16H12O5 and molecular weight 284.07 g/mol. IUPAC: 3-[2-(2,5-dihydroxyphenyl)-2-oxoethyl]-3H-2-benzofuran-1-one.
Chemical Property Profile of 3-(2-(2,5-dihydroxyphenyl)-2-oxoethyl)isobenzofuran-1(3H)-one
Property Insights of 3-(2-(2,5-dihydroxyphenyl)-2-oxoethyl)isobenzofuran-1(3H)-one
The XLogP value of 2.5823 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(2-(2,5-dihydroxyphenyl)-2-oxoethyl)isobenzofuran-1(3H)-one. The TPSA of 83.83 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(2-(2,5-dihydroxyphenyl)-2-oxoethyl)isobenzofuran-1(3H)-one. Following Lipinski's Rule of Five, 3-(2-(2,5-dihydroxyphenyl)-2-oxoethyl)isobenzofuran-1(3H)-one has 2 hydrogen bond donor(s) and 5 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 3-(2-(2,5-dihydroxyphenyl)-2-oxoethyl)isobenzofuran-1(3H)-one?
The CAS number of 3-(2-(2,5-dihydroxyphenyl)-2-oxoethyl)isobenzofuran-1(3H)-one is 423746-49-0.
What is the molecular formula of 3-(2-(2,5-dihydroxyphenyl)-2-oxoethyl)isobenzofuran-1(3H)-one?
The molecular formula of 3-(2-(2,5-dihydroxyphenyl)-2-oxoethyl)isobenzofuran-1(3H)-one is C16H12O5.
What is the molecular weight of 3-(2-(2,5-dihydroxyphenyl)-2-oxoethyl)isobenzofuran-1(3H)-one?
The molecular weight of 3-(2-(2,5-dihydroxyphenyl)-2-oxoethyl)isobenzofuran-1(3H)-one is 284.07 g/mol.
Where can I buy 3-(2-(2,5-dihydroxyphenyl)-2-oxoethyl)isobenzofuran-1(3H)-one?
You can request a quote for 3-(2-(2,5-dihydroxyphenyl)-2-oxoethyl)isobenzofuran-1(3H)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(2-(2,5-dihydroxyphenyl)-2-oxoethyl)isobenzofuran-1(3H)-one?
Yes, KEHONG BIO provides custom synthesis services for 3-(2-(2,5-dihydroxyphenyl)-2-oxoethyl)isobenzofuran-1(3H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.