Diethylene glycol, 1,6-hexanediol, adipic acid, toluene diisocyanate polymer
TL;DR: Diethylene glycol, 1,6-hexanediol, adipic acid, toluene diisocyanate polymer (CAS 68133-95-9) is a chemical compound with molecular formula C25H40N2O11 and molecular weight 544.26 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,3-diisocyanato-2-methylbenzene;hexanedioic acid;hexane-1,6-diol;2-(2-hydroxyethoxy)ethanol
Also Known As: Diethylene glycol, 1,6-hexanediol, adipic acid, toluene diisocyanate polymer, (C9-H6-N2-O2.C6-H14-O2.C6-H10-O4.C4-H10-O3)x-, Adipic acid, diethylene glycol, 1,6-hexanediol, toluenediisocyanate polymer, Adipic acid, diethylene glycol, 1,6-hexanediol, toluenediisocyanatepolymer, Hexanedioic acid, polymer with 1,3-diisocyanatomethylbenzene, 1,6-hexanediol and 2,2'-oxybis[ethanol]
| Molecular Formula | C25H40N2O11 |
|---|---|
| Molecular Weight | 544.26 g/mol |
| LogP | 2.16462 |
| Topological Polar Surface Area | 224.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 13 |
| Rotatable Bonds | 16 |
| Exact Mass | 544.2632 |
| Heavy Atoms | 38 |
| Complexity | 410.0 |
Chemical Identifiers
| CAS Number | 68133-95-9 |
|---|---|
| SMILES | CC1=C(C=CC=C1N=C=O)N=C=O.C(CCCO)CCO.C(CCC(=O)O)CC(=O)O.C(COCCO)O |
| InChIKey | JSXFCTXOWKLIAG-UHFFFAOYSA-N |
Product Overview
Diethylene glycol, 1,6-hexanediol, adipic acid, toluene diisocyanate polymer (CAS 68133-95-9), with molecular formula C25H40N2O11 and molecular weight 544.26 g/mol. IUPAC: 1,3-diisocyanato-2-methylbenzene;hexanedioic acid;hexane-1,6-diol;2-(2-hydroxyethoxy)ethanol.
Chemical Property Profile of Diethylene glycol, 1,6-hexanediol, adipic acid, toluene diisocyanate polymer
Property Insights of Diethylene glycol, 1,6-hexanediol, adipic acid, toluene diisocyanate polymer
The XLogP value of 2.16462 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Diethylene glycol, 1,6-hexanediol, adipic acid, toluene diisocyanate polymer. The TPSA of 224.0 Ų indicates high polarity, suggesting Diethylene glycol, 1,6-hexanediol, adipic acid, toluene diisocyanate polymer may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Diethylene glycol, 1,6-hexanediol, adipic acid, toluene diisocyanate polymer has 6 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 Diethylene glycol, 1,6-hexanediol, adipic acid, toluene diisocyanate polymer?
The CAS number of Diethylene glycol, 1,6-hexanediol, adipic acid, toluene diisocyanate polymer is 68133-95-9.
What is the molecular formula of Diethylene glycol, 1,6-hexanediol, adipic acid, toluene diisocyanate polymer?
The molecular formula of Diethylene glycol, 1,6-hexanediol, adipic acid, toluene diisocyanate polymer is C25H40N2O11.
What is the molecular weight of Diethylene glycol, 1,6-hexanediol, adipic acid, toluene diisocyanate polymer?
The molecular weight of Diethylene glycol, 1,6-hexanediol, adipic acid, toluene diisocyanate polymer is 544.26 g/mol.
Where can I buy Diethylene glycol, 1,6-hexanediol, adipic acid, toluene diisocyanate polymer?
You can request a quote for Diethylene glycol, 1,6-hexanediol, adipic acid, toluene diisocyanate polymer directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Diethylene glycol, 1,6-hexanediol, adipic acid, toluene diisocyanate polymer?
Yes, KEHONG BIO provides custom synthesis services for Diethylene glycol, 1,6-hexanediol, adipic acid, toluene diisocyanate polymer and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.