2-Benzofuran-1,3-dione;benzoic acid;2,2-bis(hydroxymethyl)propane-1,3-diol
TL;DR: 2-Benzofuran-1,3-dione;benzoic acid;2,2-bis(hydroxymethyl)propane-1,3-diol (CAS 51121-95-0) is a chemical compound with molecular formula C20H22O9 and molecular weight 406.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-benzofuran-1,3-dione;benzoic acid;2,2-bis(hydroxymethyl)propane-1,3-diol
Also Known As: (C8-H4-O3.C7-H6-O2.C5-H12-O4)x-, Benzoic acid, polymer with 2,2-bis(hydroxymethyl)-1,3-propanediol and 1,3-isobenzofurandione, 2-benzofuran-1,3-dione; benzoic acid; 2,2-bis(hydroxymethyl)propane-1,3-diol, benzoic acid; 2,2-bis(hydroxymethyl)propane-1,3-diol; isobenzofuran-1,3-dione
| Molecular Formula | C20H22O9 |
|---|---|
| Molecular Weight | 406.13 g/mol |
| LogP | 0.324 |
| Topological Polar Surface Area | 162.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 5 |
| Exact Mass | 406.12637 |
| Heavy Atoms | 29 |
| Complexity | 343.0 |
Chemical Identifiers
| CAS Number | 51121-95-0 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(=O)O.C1=CC=C2C(=C1)C(=O)OC2=O.C(C(CO)(CO)CO)O |
| InChIKey | JILVFXXBIARTEJ-UHFFFAOYSA-N |
Product Overview
2-Benzofuran-1,3-dione;benzoic acid;2,2-bis(hydroxymethyl)propane-1,3-diol (CAS 51121-95-0), with molecular formula C20H22O9 and molecular weight 406.13 g/mol. IUPAC: 2-benzofuran-1,3-dione;benzoic acid;2,2-bis(hydroxymethyl)propane-1,3-diol.
Chemical Property Profile of 2-Benzofuran-1,3-dione;benzoic acid;2,2-bis(hydroxymethyl)propane-1,3-diol
Property Insights of 2-Benzofuran-1,3-dione;benzoic acid;2,2-bis(hydroxymethyl)propane-1,3-diol
The XLogP value of 0.324 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Benzofuran-1,3-dione;benzoic acid;2,2-bis(hydroxymethyl)propane-1,3-diol. The TPSA of 162.0 Ų indicates high polarity, suggesting 2-Benzofuran-1,3-dione;benzoic acid;2,2-bis(hydroxymethyl)propane-1,3-diol may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 2-Benzofuran-1,3-dione;benzoic acid;2,2-bis(hydroxymethyl)propane-1,3-diol has 5 hydrogen bond donor(s) and 9 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-Benzofuran-1,3-dione;benzoic acid;2,2-bis(hydroxymethyl)propane-1,3-diol?
The CAS number of 2-Benzofuran-1,3-dione;benzoic acid;2,2-bis(hydroxymethyl)propane-1,3-diol is 51121-95-0.
What is the molecular formula of 2-Benzofuran-1,3-dione;benzoic acid;2,2-bis(hydroxymethyl)propane-1,3-diol?
The molecular formula of 2-Benzofuran-1,3-dione;benzoic acid;2,2-bis(hydroxymethyl)propane-1,3-diol is C20H22O9.
What is the molecular weight of 2-Benzofuran-1,3-dione;benzoic acid;2,2-bis(hydroxymethyl)propane-1,3-diol?
The molecular weight of 2-Benzofuran-1,3-dione;benzoic acid;2,2-bis(hydroxymethyl)propane-1,3-diol is 406.13 g/mol.
Where can I buy 2-Benzofuran-1,3-dione;benzoic acid;2,2-bis(hydroxymethyl)propane-1,3-diol?
You can request a quote for 2-Benzofuran-1,3-dione;benzoic acid;2,2-bis(hydroxymethyl)propane-1,3-diol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Benzofuran-1,3-dione;benzoic acid;2,2-bis(hydroxymethyl)propane-1,3-diol?
Yes, KEHONG BIO provides custom synthesis services for 2-Benzofuran-1,3-dione;benzoic acid;2,2-bis(hydroxymethyl)propane-1,3-diol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.