2-Benzofuran-1,3-dione;2,2-dimethylpropane-1,3-diol;ethane-1,2-diol;2-ethyl-2-(hydroxymethyl)propane-1,3-diol;hexanedioic acid;hexane-1,6-diol;5-isocyanato-1-(isocyanatomethyl)-1,3,3-trimethylcyclohexane
TL;DR: 2-Benzofuran-1,3-dione;2,2-dimethylpropane-1,3-diol;ethane-1,2-diol;2-ethyl-2-(hydroxymethyl)propane-1,3-diol;hexanedioic acid;hexane-1,6-diol;5-isocyanato-1-(isocyanatomethyl)-1,3,3-trimethylcyclohexane (CAS 103570-31-6) is a chemical compound with molecular formula C45H78N2O18 and molecular weight 934.52 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-benzofuran-1,3-dione;2,2-dimethylpropane-1,3-diol;ethane-1,2-diol;2-ethyl-2-(hydroxymethyl)propane-1,3-diol;hexanedioic acid;hexane-1,6-diol;5-isocyanato-1-(isocyanatomethyl)-1,3,3-trimethylcyclohexane
Also Known As: 2-Benzofuran-1,3-dione;2,2-dimethylpropane-1,3-diol;ethane-1,2-diol;2-ethyl-2-(hydroxymethyl)propane-1,3-diol;hexanedioic acid;hexane-1,6-diol;5-isocyanato-1-(isocyanatomethyl)-1,3,3-trimethylcyclohexane, Hexanedioic acid, polymer with 2,2-dimethyl-1,3-propanediol, 1,2-ethanediol, 2-ethyl-2-(hydroxymethyl)-1,3-propanediol, 1,6-hexanediol, 1,3-isobenzofurandione and 5-isocyanato-1-(isocyanatomethyl)-1,3,3-trimethylcyclohexane, (C12-H18-N2-O2.C8-H4-O3.C6-H14-O3.C6-H14-O2.C6-H10-O4.C5-H12-O2.C2-H6-O2)x-, 2-benzofuran-1,3-dione; 2,2-dimethylpropane-1,3-diol; ethane-1,2-diol; 2-ethyl-2-(hydroxymethyl)propane-1,3-diol; hexanedioic acid; hexane-1,6-diol; 5-isocyanato-1-(isocyanatomethyl)-1,3,3-trimethylcyclohexane, Hexanedioic acid, polymer with 2,2-dimethyl-1,3-propanediol, 1,2-ethanediol, 2-ethyl-2-(hydroxymethyl)-1,3-propanediol, 1,6-hexanediol, 1,3-isobenzofurandione and 5-isocyanato-1-(isocyanatomethyl) -1,3,3-trimethylcyclohexane
| Molecular Formula | C45H78N2O18 |
|---|---|
| Molecular Weight | 934.52 g/mol |
| LogP | 2.8155 |
| Topological Polar Surface Area | 359.0 Ų |
| Hydrogen Bond Donors | 11 |
| Hydrogen Bond Acceptors | 20 |
| Rotatable Bonds | 20 |
| Exact Mass | 934.52496 |
| Heavy Atoms | 65 |
| Complexity | 795.0 |
Chemical Identifiers
| CAS Number | 103570-31-6 |
|---|---|
| SMILES | CCC(CO)(CO)CO.CC1(CC(CC(C1)(C)CN=C=O)N=C=O)C.CC(C)(CO)CO.C1=CC=C2C(=C1)C(=O)OC2=O.C(CCCO)CCO.C(CCC(=O)O)CC(=O)O.C(CO)O |
| InChIKey | HWRFXAYEHLROHU-UHFFFAOYSA-N |
Product Overview
2-Benzofuran-1,3-dione;2,2-dimethylpropane-1,3-diol;ethane-1,2-diol;2-ethyl-2-(hydroxymethyl)propane-1,3-diol;hexanedioic acid;hexane-1,6-diol;5-isocyanato-1-(isocyanatomethyl)-1,3,3-trimethylcyclohexane (CAS 103570-31-6), with molecular formula C45H78N2O18 and molecular weight 934.52 g/mol. IUPAC: 2-benzofuran-1,3-dione;2,2-dimethylpropane-1,3-diol;ethane-1,2-diol;2-ethyl-2-(hydroxymethyl)propane-1,3-diol;hexanedioic acid;hexane-1,6-diol;5-isocyanato-1-(isocyanatomethyl)-1,3,3-trimethylcyclohexane.
Chemical Property Profile of 2-Benzofuran-1,3-dione;2,2-dimethylpropane-1,3-diol;ethane-1,2-diol;2-ethyl-2-(hydroxymethyl)propane-1,3-diol;hexanedioic acid;hexane-1,6-diol;5-isocyanato-1-(isocyanatomethyl)-1,3,3-trimethylcyclohexane
Property Insights of 2-Benzofuran-1,3-dione;2,2-dimethylpropane-1,3-diol;ethane-1,2-diol;2-ethyl-2-(hydroxymethyl)propane-1,3-diol;hexanedioic acid;hexane-1,6-diol;5-isocyanato-1-(isocyanatomethyl)-1,3,3-trimethylcyclohexane
The XLogP value of 2.8155 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Benzofuran-1,3-dione;2,2-dimethylpropane-1,3-diol;ethane-1,2-diol;2-ethyl-2-(hydroxymethyl)propane-1,3-diol;hexanedioic acid;hexane-1,6-diol;5-isocyanato-1-(isocyanatomethyl)-1,3,3-trimethylcyclohexane. The TPSA of 359.0 Ų indicates high polarity, suggesting 2-Benzofuran-1,3-dione;2,2-dimethylpropane-1,3-diol;ethane-1,2-diol;2-ethyl-2-(hydroxymethyl)propane-1,3-diol;hexanedioic acid;hexane-1,6-diol;5-isocyanato-1-(isocyanatomethyl)-1,3,3-trimethylcyclohexane may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 2-Benzofuran-1,3-dione;2,2-dimethylpropane-1,3-diol;ethane-1,2-diol;2-ethyl-2-(hydroxymethyl)propane-1,3-diol;hexanedioic acid;hexane-1,6-diol;5-isocyanato-1-(isocyanatomethyl)-1,3,3-trimethylcyclohexane has 11 hydrogen bond donor(s) and 20 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;2,2-dimethylpropane-1,3-diol;ethane-1,2-diol;2-ethyl-2-(hydroxymethyl)propane-1,3-diol;hexanedioic acid;hexane-1,6-diol;5-isocyanato-1-(isocyanatomethyl)-1,3,3-trimethylcyclohexane?
The CAS number of 2-Benzofuran-1,3-dione;2,2-dimethylpropane-1,3-diol;ethane-1,2-diol;2-ethyl-2-(hydroxymethyl)propane-1,3-diol;hexanedioic acid;hexane-1,6-diol;5-isocyanato-1-(isocyanatomethyl)-1,3,3-trimethylcyclohexane is 103570-31-6.
What is the molecular formula of 2-Benzofuran-1,3-dione;2,2-dimethylpropane-1,3-diol;ethane-1,2-diol;2-ethyl-2-(hydroxymethyl)propane-1,3-diol;hexanedioic acid;hexane-1,6-diol;5-isocyanato-1-(isocyanatomethyl)-1,3,3-trimethylcyclohexane?
The molecular formula of 2-Benzofuran-1,3-dione;2,2-dimethylpropane-1,3-diol;ethane-1,2-diol;2-ethyl-2-(hydroxymethyl)propane-1,3-diol;hexanedioic acid;hexane-1,6-diol;5-isocyanato-1-(isocyanatomethyl)-1,3,3-trimethylcyclohexane is C45H78N2O18.
What is the molecular weight of 2-Benzofuran-1,3-dione;2,2-dimethylpropane-1,3-diol;ethane-1,2-diol;2-ethyl-2-(hydroxymethyl)propane-1,3-diol;hexanedioic acid;hexane-1,6-diol;5-isocyanato-1-(isocyanatomethyl)-1,3,3-trimethylcyclohexane?
The molecular weight of 2-Benzofuran-1,3-dione;2,2-dimethylpropane-1,3-diol;ethane-1,2-diol;2-ethyl-2-(hydroxymethyl)propane-1,3-diol;hexanedioic acid;hexane-1,6-diol;5-isocyanato-1-(isocyanatomethyl)-1,3,3-trimethylcyclohexane is 934.52 g/mol.
Where can I buy 2-Benzofuran-1,3-dione;2,2-dimethylpropane-1,3-diol;ethane-1,2-diol;2-ethyl-2-(hydroxymethyl)propane-1,3-diol;hexanedioic acid;hexane-1,6-diol;5-isocyanato-1-(isocyanatomethyl)-1,3,3-trimethylcyclohexane?
You can request a quote for 2-Benzofuran-1,3-dione;2,2-dimethylpropane-1,3-diol;ethane-1,2-diol;2-ethyl-2-(hydroxymethyl)propane-1,3-diol;hexanedioic acid;hexane-1,6-diol;5-isocyanato-1-(isocyanatomethyl)-1,3,3-trimethylcyclohexane 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;2,2-dimethylpropane-1,3-diol;ethane-1,2-diol;2-ethyl-2-(hydroxymethyl)propane-1,3-diol;hexanedioic acid;hexane-1,6-diol;5-isocyanato-1-(isocyanatomethyl)-1,3,3-trimethylcyclohexane?
Yes, KEHONG BIO provides custom synthesis services for 2-Benzofuran-1,3-dione;2,2-dimethylpropane-1,3-diol;ethane-1,2-diol;2-ethyl-2-(hydroxymethyl)propane-1,3-diol;hexanedioic acid;hexane-1,6-diol;5-isocyanato-1-(isocyanatomethyl)-1,3,3-trimethylcyclohexane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.