Toluene diisocyanate, adipic acid, diethylene glycol, trimethylolpropane polymer
TL;DR: Toluene diisocyanate, adipic acid, diethylene glycol, trimethylolpropane polymer (CAS 97649-50-8) is a chemical compound with molecular formula C25H40N2O12 and molecular weight 560.26 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,3-diisocyanato-2-methylbenzene;2-ethyl-2-(hydroxymethyl)propane-1,3-diol;hexanedioic acid;2-(2-hydroxyethoxy)ethanol
Also Known As: Toluene diisocyanate, adipic acid, diethylene glycol, trimethylolpropane polymer, Adipic acid, diethylene glycol, trimethylolpropane, toluenediisocyanate polymer, Hexanedioic acid, polymer with 1,3-diisocyanatomethylbenzene, 2-ethyl-2-(hydroxymethyl)-1,3-propanediol and 2,2'-oxybis[ethanol], (C9-H6-N2-O2.C6-H14-O3.C6-H10-O4.C4-H10-O3)x-, 1,3-Diisocyanatomethylbenzene, adipic acid, diethylene glycol, trimethylolpropane polymer
| Molecular Formula | C25H40N2O12 |
|---|---|
| Molecular Weight | 560.26 g/mol |
| LogP | 0.99292 |
| Topological Polar Surface Area | 244.0 Ų |
| Hydrogen Bond Donors | 7 |
| Hydrogen Bond Acceptors | 14 |
| Rotatable Bonds | 15 |
| Exact Mass | 560.2581 |
| Heavy Atoms | 39 |
| Complexity | 439.0 |
Chemical Identifiers
| CAS Number | 97649-50-8 |
|---|---|
| SMILES | CCC(CO)(CO)CO.CC1=C(C=CC=C1N=C=O)N=C=O.C(CCC(=O)O)CC(=O)O.C(COCCO)O |
| InChIKey | CMUDHBMYFFNHLY-UHFFFAOYSA-N |
Product Overview
Toluene diisocyanate, adipic acid, diethylene glycol, trimethylolpropane polymer (CAS 97649-50-8), with molecular formula C25H40N2O12 and molecular weight 560.26 g/mol. IUPAC: 1,3-diisocyanato-2-methylbenzene;2-ethyl-2-(hydroxymethyl)propane-1,3-diol;hexanedioic acid;2-(2-hydroxyethoxy)ethanol.
Chemical Property Profile of Toluene diisocyanate, adipic acid, diethylene glycol, trimethylolpropane polymer
Property Insights of Toluene diisocyanate, adipic acid, diethylene glycol, trimethylolpropane polymer
The XLogP value of 0.99292 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Toluene diisocyanate, adipic acid, diethylene glycol, trimethylolpropane polymer. The TPSA of 244.0 Ų indicates high polarity, suggesting Toluene diisocyanate, adipic acid, diethylene glycol, trimethylolpropane polymer may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Toluene diisocyanate, adipic acid, diethylene glycol, trimethylolpropane polymer has 7 hydrogen bond donor(s) and 14 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Toluene diisocyanate, adipic acid, diethylene glycol, trimethylolpropane polymer?
The CAS number of Toluene diisocyanate, adipic acid, diethylene glycol, trimethylolpropane polymer is 97649-50-8.
What is the molecular formula of Toluene diisocyanate, adipic acid, diethylene glycol, trimethylolpropane polymer?
The molecular formula of Toluene diisocyanate, adipic acid, diethylene glycol, trimethylolpropane polymer is C25H40N2O12.
What is the molecular weight of Toluene diisocyanate, adipic acid, diethylene glycol, trimethylolpropane polymer?
The molecular weight of Toluene diisocyanate, adipic acid, diethylene glycol, trimethylolpropane polymer is 560.26 g/mol.
Where can I buy Toluene diisocyanate, adipic acid, diethylene glycol, trimethylolpropane polymer?
You can request a quote for Toluene diisocyanate, adipic acid, diethylene glycol, trimethylolpropane polymer directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Toluene diisocyanate, adipic acid, diethylene glycol, trimethylolpropane polymer?
Yes, KEHONG BIO provides custom synthesis services for Toluene diisocyanate, adipic acid, diethylene glycol, trimethylolpropane polymer and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.