Adipic acid, trimethylolpropane, toluenediisocyanate prepolymer
TL;DR: Adipic acid, trimethylolpropane, toluenediisocyanate prepolymer (CAS 52656-15-2) is a chemical compound with molecular formula C21H30N2O9 and molecular weight 454.20 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
Also Known As: Adipic acid, trimethylolpropane, toluenediisocyanate prepolymer, (C9-H6-N2-O2.C6-H14-O3.C6-H10-O4)x-, Hexanedioic acid, polymer with 1,3-diisocyanatomethylbenzene and 2-ethyl-2-(hydroxymethyl)-1,3-propanediol, 1,3-diisocyanato-2-methylbenzene; 2-ethyl-2-(hydroxymethyl)propane-1,3-diol; hexanedioic acid, Hexanedioic acid, polymer with 1,3-diisocyanatomethylbenzene and2-ethyl-2-(hydroxymethyl)-1,3-propanediol
| Molecular Formula | C21H30N2O9 |
|---|---|
| Molecular Weight | 454.20 g/mol |
| LogP | 2.00532 |
| Topological Polar Surface Area | 194.15 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 11 |
| Exact Mass | 454.19513 |
| Heavy Atoms | 32 |
| Complexity | 724.7003 |
Chemical Identifiers
| CAS Number | 52656-15-2 |
|---|---|
| SMILES | CCC(CO)(CO)CO.CC1=C(C=CC=C1N=C=O)N=C=O.C(CCC(=O)O)CC(=O)O |
Product Overview
Adipic acid, trimethylolpropane, toluenediisocyanate prepolymer (CAS 52656-15-2), with molecular formula C21H30N2O9 and molecular weight 454.20 g/mol. IUPAC: 1,3-diisocyanato-2-methylbenzene;2-ethyl-2-(hydroxymethyl)propane-1,3-diol;hexanedioic acid.
Chemical Property Profile of Adipic acid, trimethylolpropane, toluenediisocyanate prepolymer
Property Insights of Adipic acid, trimethylolpropane, toluenediisocyanate prepolymer
The XLogP value of 2.00532 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Adipic acid, trimethylolpropane, toluenediisocyanate prepolymer. The TPSA of 194.15 Ų indicates high polarity, suggesting Adipic acid, trimethylolpropane, toluenediisocyanate prepolymer may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Adipic acid, trimethylolpropane, toluenediisocyanate prepolymer has 5 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Adipic acid, trimethylolpropane, toluenediisocyanate prepolymer?
The CAS number of Adipic acid, trimethylolpropane, toluenediisocyanate prepolymer is 52656-15-2.
What is the molecular formula of Adipic acid, trimethylolpropane, toluenediisocyanate prepolymer?
The molecular formula of Adipic acid, trimethylolpropane, toluenediisocyanate prepolymer is C21H30N2O9.
What is the molecular weight of Adipic acid, trimethylolpropane, toluenediisocyanate prepolymer?
The molecular weight of Adipic acid, trimethylolpropane, toluenediisocyanate prepolymer is 454.20 g/mol.
Where can I buy Adipic acid, trimethylolpropane, toluenediisocyanate prepolymer?
You can request a quote for Adipic acid, trimethylolpropane, toluenediisocyanate prepolymer directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Adipic acid, trimethylolpropane, toluenediisocyanate prepolymer?
Yes, KEHONG BIO provides custom synthesis services for Adipic acid, trimethylolpropane, toluenediisocyanate prepolymer and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.