2-benzofuran-1,3-dione;2-ethyl-2-(hydroxymethyl)propane-1,3-diol;hexanedioic acid;1-(2-hydroxypropoxy)propan-2-ol
TL;DR: 2-benzofuran-1,3-dione;2-ethyl-2-(hydroxymethyl)propane-1,3-diol;hexanedioic acid;1-(2-hydroxypropoxy)propan-2-ol (CAS 68133-07-3) is a chemical compound with molecular formula C26H42O13 and molecular weight 562.26 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-benzofuran-1,3-dione;2-ethyl-2-(hydroxymethyl)propane-1,3-diol;hexanedioic acid;1-(2-hydroxypropoxy)propan-2-ol
Also Known As: 2-benzofuran-1,3-dione;2-ethyl-2-(hydroxymethyl)propane-1,3-diol;hexanedioic acid;1-(2-hydroxypropoxy)propan-2-ol, (C8-H4-O3.C6-H14-O3.C6-H14-O3.C6-H10-O4)x-, Hexanedioic acid, polymer with 2-ethyl-2-(hydroxymethyl)-1,3-propanediol, 1,3-isobenzofurandione and 1,1'-oxybis[2-propanol], Poly[trimethylolpropane/di(propylene glycol)-alt-adipic acid/phthalic anhydride],polyol, 2-benzofuran-1,3-dione; 2-ethyl-2-(hydroxymethyl)propane-1,3-diol; hexanedioic acid; 1-(2-hydroxypropoxy)propan-2-ol
| Molecular Formula | C26H42O13 |
|---|---|
| Molecular Weight | 562.26 g/mol |
| LogP | 0.8375 |
| Topological Polar Surface Area | 228.0 Ų |
| Hydrogen Bond Donors | 7 |
| Hydrogen Bond Acceptors | 13 |
| Rotatable Bonds | 13 |
| Exact Mass | 562.2625 |
| Heavy Atoms | 39 |
| Complexity | 419.0 |
Chemical Identifiers
| CAS Number | 68133-07-3 |
|---|---|
| SMILES | CCC(CO)(CO)CO.CC(COCC(C)O)O.C1=CC=C2C(=C1)C(=O)OC2=O.C(CCC(=O)O)CC(=O)O |
| InChIKey | OODDSGCGIVJJFS-UHFFFAOYSA-N |
Product Overview
2-benzofuran-1,3-dione;2-ethyl-2-(hydroxymethyl)propane-1,3-diol;hexanedioic acid;1-(2-hydroxypropoxy)propan-2-ol (CAS 68133-07-3), with molecular formula C26H42O13 and molecular weight 562.26 g/mol. IUPAC: 2-benzofuran-1,3-dione;2-ethyl-2-(hydroxymethyl)propane-1,3-diol;hexanedioic acid;1-(2-hydroxypropoxy)propan-2-ol.
Chemical Property Profile of 2-benzofuran-1,3-dione;2-ethyl-2-(hydroxymethyl)propane-1,3-diol;hexanedioic acid;1-(2-hydroxypropoxy)propan-2-ol
Property Insights of 2-benzofuran-1,3-dione;2-ethyl-2-(hydroxymethyl)propane-1,3-diol;hexanedioic acid;1-(2-hydroxypropoxy)propan-2-ol
The XLogP value of 0.8375 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-benzofuran-1,3-dione;2-ethyl-2-(hydroxymethyl)propane-1,3-diol;hexanedioic acid;1-(2-hydroxypropoxy)propan-2-ol. The TPSA of 228.0 Ų indicates high polarity, suggesting 2-benzofuran-1,3-dione;2-ethyl-2-(hydroxymethyl)propane-1,3-diol;hexanedioic acid;1-(2-hydroxypropoxy)propan-2-ol may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 2-benzofuran-1,3-dione;2-ethyl-2-(hydroxymethyl)propane-1,3-diol;hexanedioic acid;1-(2-hydroxypropoxy)propan-2-ol has 7 hydrogen bond donor(s) and 13 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-benzofuran-1,3-dione;2-ethyl-2-(hydroxymethyl)propane-1,3-diol;hexanedioic acid;1-(2-hydroxypropoxy)propan-2-ol?
The CAS number of 2-benzofuran-1,3-dione;2-ethyl-2-(hydroxymethyl)propane-1,3-diol;hexanedioic acid;1-(2-hydroxypropoxy)propan-2-ol is 68133-07-3.
What is the molecular formula of 2-benzofuran-1,3-dione;2-ethyl-2-(hydroxymethyl)propane-1,3-diol;hexanedioic acid;1-(2-hydroxypropoxy)propan-2-ol?
The molecular formula of 2-benzofuran-1,3-dione;2-ethyl-2-(hydroxymethyl)propane-1,3-diol;hexanedioic acid;1-(2-hydroxypropoxy)propan-2-ol is C26H42O13.
What is the molecular weight of 2-benzofuran-1,3-dione;2-ethyl-2-(hydroxymethyl)propane-1,3-diol;hexanedioic acid;1-(2-hydroxypropoxy)propan-2-ol?
The molecular weight of 2-benzofuran-1,3-dione;2-ethyl-2-(hydroxymethyl)propane-1,3-diol;hexanedioic acid;1-(2-hydroxypropoxy)propan-2-ol is 562.26 g/mol.
Where can I buy 2-benzofuran-1,3-dione;2-ethyl-2-(hydroxymethyl)propane-1,3-diol;hexanedioic acid;1-(2-hydroxypropoxy)propan-2-ol?
You can request a quote for 2-benzofuran-1,3-dione;2-ethyl-2-(hydroxymethyl)propane-1,3-diol;hexanedioic acid;1-(2-hydroxypropoxy)propan-2-ol 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;2-ethyl-2-(hydroxymethyl)propane-1,3-diol;hexanedioic acid;1-(2-hydroxypropoxy)propan-2-ol?
Yes, KEHONG BIO provides custom synthesis services for 2-benzofuran-1,3-dione;2-ethyl-2-(hydroxymethyl)propane-1,3-diol;hexanedioic acid;1-(2-hydroxypropoxy)propan-2-ol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.