![2,2-dimethylpropane-1,3-diol;hexanedioic acid;hexane-1,6-diol;2-[4-(2-hydroxyethoxy)phenoxy]ethanol;1-isocyanato-4-[(4-isocyanatophenyl)methyl]benzene structure](/static/products/1091/109180-02-1.webp)
2,2-dimethylpropane-1,3-diol;hexanedioic acid;hexane-1,6-diol;2-[4-(2-hydroxyethoxy)phenoxy]ethanol;1-isocyanato-4-[(4-isocyanatophenyl)methyl]benzene
TL;DR: 2,2-dimethylpropane-1,3-diol;hexanedioic acid;hexane-1,6-diol;2-[4-(2-hydroxyethoxy)phenoxy]ethanol;1-isocyanato-4-[(4-isocyanatophenyl)methyl]benzene (CAS 109180-02-1) is a chemical compound with molecular formula C42H60N2O14 and molecular weight 816.40 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,2-dimethylpropane-1,3-diol;hexanedioic acid;hexane-1,6-diol;2-[4-(2-hydroxyethoxy)phenoxy]ethanol;1-isocyanato-4-[(4-isocyanatophenyl)methyl]benzene
Also Known As: 2,2-dimethylpropane-1,3-diol;hexanedioic acid;hexane-1,6-diol;2-[4-(2-hydroxyethoxy)phenoxy]ethanol;1-isocyanato-4-[(4-isocyanatophenyl)methyl]benzene, Hexanedioic acid, polymer with 2,2-dimethyl-1,3-propanediol, 1,6-hexanediol, 1,1'-methylenebis[4-isocyanatobenzene] and 2,2'-[1,4-phenylenebis(oxy)]bis[ethanol], (C15-H10-N2-O2.C10-H14-O4.C6-H14-O2.C6-H10-O4.C5-H12-O2)x-, 2,2-dimethylpropane-1,3-diol; hexanedioic acid; hexane-1,6-diol; 2-[4-(2-hydroxyethoxy)phenoxy]ethanol; 1-isocyanato-4-[(4-isocyanatophenyl)methyl]benzene, Hexanedioic acid, polymer with 2,2-dimethyl-1,3-propanediol, 1,6-hexanediol, 1,1'-methylenebis(4-isocyanatobenzene) and 2,2'-(1,4-phenylenebis(oxy))bis(ethanol)
| Molecular Formula | C42H60N2O14 |
|---|---|
| Molecular Weight | 816.40 g/mol |
| LogP | 4.8854 |
| Topological Polar Surface Area | 273.0 Ų |
| Hydrogen Bond Donors | 8 |
| Hydrogen Bond Acceptors | 16 |
| Rotatable Bonds | 22 |
| Exact Mass | 816.4045 |
| Heavy Atoms | 58 |
| Complexity | 637.0 |
Chemical Identifiers
| CAS Number | 109180-02-1 |
|---|---|
| SMILES | CC(C)(CO)CO.C1=CC(=CC=C1CC2=CC=C(C=C2)N=C=O)N=C=O.C1=CC(=CC=C1OCCO)OCCO.C(CCCO)CCO.C(CCC(=O)O)CC(=O)O |
| InChIKey | UHKFKMQLVRDEKP-UHFFFAOYSA-N |
Product Overview
2,2-dimethylpropane-1,3-diol;hexanedioic acid;hexane-1,6-diol;2-[4-(2-hydroxyethoxy)phenoxy]ethanol;1-isocyanato-4-[(4-isocyanatophenyl)methyl]benzene (CAS 109180-02-1), with molecular formula C42H60N2O14 and molecular weight 816.40 g/mol. IUPAC: 2,2-dimethylpropane-1,3-diol;hexanedioic acid;hexane-1,6-diol;2-[4-(2-hydroxyethoxy)phenoxy]ethanol;1-isocyanato-4-[(4-isocyanatophenyl)methyl]benzene.
Chemical Property Profile of 2,2-dimethylpropane-1,3-diol;hexanedioic acid;hexane-1,6-diol;2-[4-(2-hydroxyethoxy)phenoxy]ethanol;1-isocyanato-4-[(4-isocyanatophenyl)methyl]benzene
Property Insights of 2,2-dimethylpropane-1,3-diol;hexanedioic acid;hexane-1,6-diol;2-[4-(2-hydroxyethoxy)phenoxy]ethanol;1-isocyanato-4-[(4-isocyanatophenyl)methyl]benzene
The XLogP value of 4.8854 indicates that 2,2-dimethylpropane-1,3-diol;hexanedioic acid;hexane-1,6-diol;2-[4-(2-hydroxyethoxy)phenoxy]ethanol;1-isocyanato-4-[(4-isocyanatophenyl)methyl]benzene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 273.0 Ų indicates high polarity, suggesting 2,2-dimethylpropane-1,3-diol;hexanedioic acid;hexane-1,6-diol;2-[4-(2-hydroxyethoxy)phenoxy]ethanol;1-isocyanato-4-[(4-isocyanatophenyl)methyl]benzene may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 2,2-dimethylpropane-1,3-diol;hexanedioic acid;hexane-1,6-diol;2-[4-(2-hydroxyethoxy)phenoxy]ethanol;1-isocyanato-4-[(4-isocyanatophenyl)methyl]benzene has 8 hydrogen bond donor(s) and 16 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2,2-dimethylpropane-1,3-diol;hexanedioic acid;hexane-1,6-diol;2-[4-(2-hydroxyethoxy)phenoxy]ethanol;1-isocyanato-4-[(4-isocyanatophenyl)methyl]benzene?
The CAS number of 2,2-dimethylpropane-1,3-diol;hexanedioic acid;hexane-1,6-diol;2-[4-(2-hydroxyethoxy)phenoxy]ethanol;1-isocyanato-4-[(4-isocyanatophenyl)methyl]benzene is 109180-02-1.
What is the molecular formula of 2,2-dimethylpropane-1,3-diol;hexanedioic acid;hexane-1,6-diol;2-[4-(2-hydroxyethoxy)phenoxy]ethanol;1-isocyanato-4-[(4-isocyanatophenyl)methyl]benzene?
The molecular formula of 2,2-dimethylpropane-1,3-diol;hexanedioic acid;hexane-1,6-diol;2-[4-(2-hydroxyethoxy)phenoxy]ethanol;1-isocyanato-4-[(4-isocyanatophenyl)methyl]benzene is C42H60N2O14.
What is the molecular weight of 2,2-dimethylpropane-1,3-diol;hexanedioic acid;hexane-1,6-diol;2-[4-(2-hydroxyethoxy)phenoxy]ethanol;1-isocyanato-4-[(4-isocyanatophenyl)methyl]benzene?
The molecular weight of 2,2-dimethylpropane-1,3-diol;hexanedioic acid;hexane-1,6-diol;2-[4-(2-hydroxyethoxy)phenoxy]ethanol;1-isocyanato-4-[(4-isocyanatophenyl)methyl]benzene is 816.40 g/mol.
Where can I buy 2,2-dimethylpropane-1,3-diol;hexanedioic acid;hexane-1,6-diol;2-[4-(2-hydroxyethoxy)phenoxy]ethanol;1-isocyanato-4-[(4-isocyanatophenyl)methyl]benzene?
You can request a quote for 2,2-dimethylpropane-1,3-diol;hexanedioic acid;hexane-1,6-diol;2-[4-(2-hydroxyethoxy)phenoxy]ethanol;1-isocyanato-4-[(4-isocyanatophenyl)methyl]benzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,2-dimethylpropane-1,3-diol;hexanedioic acid;hexane-1,6-diol;2-[4-(2-hydroxyethoxy)phenoxy]ethanol;1-isocyanato-4-[(4-isocyanatophenyl)methyl]benzene?
Yes, KEHONG BIO provides custom synthesis services for 2,2-dimethylpropane-1,3-diol;hexanedioic acid;hexane-1,6-diol;2-[4-(2-hydroxyethoxy)phenoxy]ethanol;1-isocyanato-4-[(4-isocyanatophenyl)methyl]benzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.