1,3-Diisocyanato-1-methylcyclohexane;2-hydroxyethyl prop-2-enoate
TL;DR: 1,3-Diisocyanato-1-methylcyclohexane;2-hydroxyethyl prop-2-enoate (CAS 68479-07-2) is a chemical compound with molecular formula C14H20N2O5 and molecular weight 296.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,3-diisocyanato-1-methylcyclohexane;2-hydroxyethyl prop-2-enoate
Also Known As: Toluene-2,4-diisocyanate, hydroxyethyl acrylate urethane, 2-Propenoic acid, 2-hydroxyethyl ester, reaction products with TDI, Reaction products of 2-hydroxyethyl acrylate with toluene diisocyanate, 1,3-diisocyanato-1-methylcyclohexane; 2-hydroxyethyl prop-2-enoate
| Molecular Formula | C14H20N2O5 |
|---|---|
| Molecular Weight | 296.14 g/mol |
| LogP | 1.0672 |
| Topological Polar Surface Area | 105.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 296.1372 |
| Heavy Atoms | 21 |
| Complexity | 365.0 |
Chemical Identifiers
| CAS Number | 68479-07-2 |
|---|---|
| SMILES | CC1(CCCC(C1)N=C=O)N=C=O.C=CC(=O)OCCO |
| InChIKey | WYSBEIFYDZESRX-UHFFFAOYSA-N |
Product Overview
1,3-Diisocyanato-1-methylcyclohexane;2-hydroxyethyl prop-2-enoate (CAS 68479-07-2), with molecular formula C14H20N2O5 and molecular weight 296.14 g/mol. IUPAC: 1,3-diisocyanato-1-methylcyclohexane;2-hydroxyethyl prop-2-enoate.
Chemical Property Profile of 1,3-Diisocyanato-1-methylcyclohexane;2-hydroxyethyl prop-2-enoate
Property Insights of 1,3-Diisocyanato-1-methylcyclohexane;2-hydroxyethyl prop-2-enoate
The XLogP value of 1.0672 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3-Diisocyanato-1-methylcyclohexane;2-hydroxyethyl prop-2-enoate. The TPSA of 105.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,3-Diisocyanato-1-methylcyclohexane;2-hydroxyethyl prop-2-enoate. Following Lipinski's Rule of Five, 1,3-Diisocyanato-1-methylcyclohexane;2-hydroxyethyl prop-2-enoate has 1 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 1,3-Diisocyanato-1-methylcyclohexane;2-hydroxyethyl prop-2-enoate?
The CAS number of 1,3-Diisocyanato-1-methylcyclohexane;2-hydroxyethyl prop-2-enoate is 68479-07-2.
What is the molecular formula of 1,3-Diisocyanato-1-methylcyclohexane;2-hydroxyethyl prop-2-enoate?
The molecular formula of 1,3-Diisocyanato-1-methylcyclohexane;2-hydroxyethyl prop-2-enoate is C14H20N2O5.
What is the molecular weight of 1,3-Diisocyanato-1-methylcyclohexane;2-hydroxyethyl prop-2-enoate?
The molecular weight of 1,3-Diisocyanato-1-methylcyclohexane;2-hydroxyethyl prop-2-enoate is 296.14 g/mol.
Where can I buy 1,3-Diisocyanato-1-methylcyclohexane;2-hydroxyethyl prop-2-enoate?
You can request a quote for 1,3-Diisocyanato-1-methylcyclohexane;2-hydroxyethyl prop-2-enoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3-Diisocyanato-1-methylcyclohexane;2-hydroxyethyl prop-2-enoate?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Diisocyanato-1-methylcyclohexane;2-hydroxyethyl prop-2-enoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.