Isophorone diisocyanate, trimethylolpropane adduct
TL;DR: Isophorone diisocyanate, trimethylolpropane adduct (CAS 72102-41-1) is a chemical compound with molecular formula C18H32N2O5 and molecular weight 356.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-ethyl-2-(hydroxymethyl)propane-1,3-diol;5-isocyanato-1-(isocyanatomethyl)-1,3,3-trimethylcyclohexane
Also Known As: Isophorone diisocyanate, trimethylolpropane adduct, (C12-H18-N2-O2.C8-H18-O.C6-H14-O3)x-, 1,3-Propanediol, 2-ethyl-2-(hydroxymethyl)-, reaction products with 5-isocyanato-1-(isocyanatomethyl)-1,3,3-trimethylcyclohexane, Isophorone diisocyanate, trimethylolpropane, polymer, reaction product with 2-ethylhexanol, reaction product of isophorone diisocyanate with trimethylolpropane and 1,3-propanediol?
| Molecular Formula | C18H32N2O5 |
|---|---|
| Molecular Weight | 356.23 g/mol |
| LogP | 1.6027 |
| Topological Polar Surface Area | 120.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 356.2311 |
| Heavy Atoms | 25 |
| Complexity | 412.0 |
Chemical Identifiers
| CAS Number | 72102-41-1 |
|---|---|
| SMILES | CCC(CO)(CO)CO.CC1(CC(CC(C1)(C)CN=C=O)N=C=O)C |
| InChIKey | NCNFJZCCVWIZNK-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Isophorone diisocyanate, trimethylolpropane adduct (CAS 72102-41-1), with molecular formula C18H32N2O5 and molecular weight 356.23 g/mol. IUPAC: 2-ethyl-2-(hydroxymethyl)propane-1,3-diol;5-isocyanato-1-(isocyanatomethyl)-1,3,3-trimethylcyclohexane.
Chemical Property Profile of Isophorone diisocyanate, trimethylolpropane adduct
Property Insights of Isophorone diisocyanate, trimethylolpropane adduct
The XLogP value of 1.6027 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Isophorone diisocyanate, trimethylolpropane adduct. The TPSA of 120.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Isophorone diisocyanate, trimethylolpropane adduct. Following Lipinski's Rule of Five, Isophorone diisocyanate, trimethylolpropane adduct has 3 hydrogen bond donor(s) and 7 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 Isophorone diisocyanate, trimethylolpropane adduct?
The CAS number of Isophorone diisocyanate, trimethylolpropane adduct is 72102-41-1.
What is the molecular formula of Isophorone diisocyanate, trimethylolpropane adduct?
The molecular formula of Isophorone diisocyanate, trimethylolpropane adduct is C18H32N2O5.
What is the molecular weight of Isophorone diisocyanate, trimethylolpropane adduct?
The molecular weight of Isophorone diisocyanate, trimethylolpropane adduct is 356.23 g/mol.
Where can I buy Isophorone diisocyanate, trimethylolpropane adduct?
You can request a quote for Isophorone diisocyanate, trimethylolpropane adduct directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Isophorone diisocyanate, trimethylolpropane adduct?
Yes, KEHONG BIO provides custom synthesis services for Isophorone diisocyanate, trimethylolpropane adduct and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.