Ethane-1,2-diol--1,1'-methylenebis(4-isocyanatocyclohexane) (1/1)
TL;DR: Ethane-1,2-diol--1,1'-methylenebis(4-isocyanatocyclohexane) (1/1) (CAS 112666-65-6) is a chemical compound with molecular formula C17H28N2O4 and molecular weight 324.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethane-1,2-diol;1-isocyanato-4-[(4-isocyanatocyclohexyl)methyl]cyclohexane
Also Known As: PEG-8/SMDI COPOLYMER, PEG-8 / SMDI COPOLYMER, (C15-H22-N2-O2.(C2H4-O)mult-H2-O)x-, Ethane-1,2-diol; 1-isocyanato-4-[(4-isocyanatocyclohexyl)methyl]cyclohexane, Ethane-1,2-diol--1,1'-methylenebis(4-isocyanatocyclohexane) (1/1)
| Molecular Formula | C17H28N2O4 |
|---|---|
| Molecular Weight | 324.20 g/mol |
| LogP | 2.1367 |
| Topological Polar Surface Area | 99.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 324.2049 |
| Heavy Atoms | 23 |
| Complexity | 338.0 |
Chemical Identifiers
| CAS Number | 112666-65-6 |
|---|---|
| SMILES | C1CC(CCC1CC2CCC(CC2)N=C=O)N=C=O.C(CO)O |
| InChIKey | KWXITRWAHDYEEE-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Ethane-1,2-diol--1,1'-methylenebis(4-isocyanatocyclohexane) (1/1) (CAS 112666-65-6), with molecular formula C17H28N2O4 and molecular weight 324.20 g/mol. IUPAC: ethane-1,2-diol;1-isocyanato-4-[(4-isocyanatocyclohexyl)methyl]cyclohexane.
Chemical Property Profile of Ethane-1,2-diol--1,1'-methylenebis(4-isocyanatocyclohexane) (1/1)
Property Insights of Ethane-1,2-diol--1,1'-methylenebis(4-isocyanatocyclohexane) (1/1)
The XLogP value of 2.1367 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethane-1,2-diol--1,1'-methylenebis(4-isocyanatocyclohexane) (1/1). The TPSA of 99.3 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethane-1,2-diol--1,1'-methylenebis(4-isocyanatocyclohexane) (1/1). Following Lipinski's Rule of Five, Ethane-1,2-diol--1,1'-methylenebis(4-isocyanatocyclohexane) (1/1) has 2 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 Ethane-1,2-diol--1,1'-methylenebis(4-isocyanatocyclohexane) (1/1)?
The CAS number of Ethane-1,2-diol--1,1'-methylenebis(4-isocyanatocyclohexane) (1/1) is 112666-65-6.
What is the molecular formula of Ethane-1,2-diol--1,1'-methylenebis(4-isocyanatocyclohexane) (1/1)?
The molecular formula of Ethane-1,2-diol--1,1'-methylenebis(4-isocyanatocyclohexane) (1/1) is C17H28N2O4.
What is the molecular weight of Ethane-1,2-diol--1,1'-methylenebis(4-isocyanatocyclohexane) (1/1)?
The molecular weight of Ethane-1,2-diol--1,1'-methylenebis(4-isocyanatocyclohexane) (1/1) is 324.20 g/mol.
Where can I buy Ethane-1,2-diol--1,1'-methylenebis(4-isocyanatocyclohexane) (1/1)?
You can request a quote for Ethane-1,2-diol--1,1'-methylenebis(4-isocyanatocyclohexane) (1/1) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethane-1,2-diol--1,1'-methylenebis(4-isocyanatocyclohexane) (1/1)?
Yes, KEHONG BIO provides custom synthesis services for Ethane-1,2-diol--1,1'-methylenebis(4-isocyanatocyclohexane) (1/1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.