Isophorone diisocyanate, hydroxyethyl methacrylate adduct
TL;DR: Isophorone diisocyanate, hydroxyethyl methacrylate adduct (CAS 73597-26-9) is a chemical compound with molecular formula C18H28N2O5 and molecular weight 352.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[(1R,5R)-5-isocyanato-1,3,3-trimethylcyclohexyl]methylcarbamoyloxy]ethyl 2-methylprop-2-enoate
Also Known As: Isophorone diisocyanate, hydroxyethyl methacrylate adduct, 2-(((((5-Isocyanato-1,3,3-trimethylcyclohexyl)methyl)amino)carbonyl)oxy)ethyl methacrylate, 2-Propenoic acid, 2-methyl-, 2-(((((5-isocyanato-1,3,3-trimethylcyclohexyl)methyl)amino)carbonyl)oxy)ethyl ester, 2-[[(1R,5R)-5-isocyanato-1,3,3-trimethylcyclohexyl]methylcarbamoyloxy]ethyl 2-methylprop-2-enoate
| Molecular Formula | C18H28N2O5 |
|---|---|
| Molecular Weight | 352.20 g/mol |
| LogP | 2.7527 |
| Topological Polar Surface Area | 94.06 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 352.19983 |
| Heavy Atoms | 25 |
| Complexity | 565.8137 |
Chemical Identifiers
| CAS Number | 73597-26-9 |
|---|---|
| SMILES | CC(=C)C(=O)OCCOC(=O)NC[C@]1(C[C@@H](CC(C1)(C)C)N=C=O)C |
Product Overview
Isophorone diisocyanate, hydroxyethyl methacrylate adduct (CAS 73597-26-9), with molecular formula C18H28N2O5 and molecular weight 352.20 g/mol. IUPAC: 2-[[(1R,5R)-5-isocyanato-1,3,3-trimethylcyclohexyl]methylcarbamoyloxy]ethyl 2-methylprop-2-enoate.
Chemical Property Profile of Isophorone diisocyanate, hydroxyethyl methacrylate adduct
Property Insights of Isophorone diisocyanate, hydroxyethyl methacrylate adduct
The XLogP value of 2.7527 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Isophorone diisocyanate, hydroxyethyl methacrylate adduct. The TPSA of 94.06 Ų falls within the moderate polarity range, balancing permeability and solubility for Isophorone diisocyanate, hydroxyethyl methacrylate adduct. Following Lipinski's Rule of Five, Isophorone diisocyanate, hydroxyethyl methacrylate adduct has 1 hydrogen bond donor(s) and 6 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, hydroxyethyl methacrylate adduct?
The CAS number of Isophorone diisocyanate, hydroxyethyl methacrylate adduct is 73597-26-9.
What is the molecular formula of Isophorone diisocyanate, hydroxyethyl methacrylate adduct?
The molecular formula of Isophorone diisocyanate, hydroxyethyl methacrylate adduct is C18H28N2O5.
What is the molecular weight of Isophorone diisocyanate, hydroxyethyl methacrylate adduct?
The molecular weight of Isophorone diisocyanate, hydroxyethyl methacrylate adduct is 352.20 g/mol.
Where can I buy Isophorone diisocyanate, hydroxyethyl methacrylate adduct?
You can request a quote for Isophorone diisocyanate, hydroxyethyl methacrylate 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, hydroxyethyl methacrylate adduct?
Yes, KEHONG BIO provides custom synthesis services for Isophorone diisocyanate, hydroxyethyl methacrylate adduct and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.