1,3-Diisocyanato-2-methylbenzene;hexanedioic acid;2-(2-hydroxyethoxy)ethanol
TL;DR: 1,3-Diisocyanato-2-methylbenzene;hexanedioic acid;2-(2-hydroxyethoxy)ethanol (CAS 1085-64-9) is a chemical compound with molecular formula C19H26N2O9 and molecular weight 426.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,3-diisocyanato-2-methylbenzene;hexanedioic acid;2-(2-hydroxyethoxy)ethanol
Also Known As: adipic acid; 1,3-diisocyanato-2-methyl-benzene; 2-(2-hydroxyethoxy)ethanol, Toluene diisocyanate, diethylene glycol, adipic acid polymer, Toluenediisocyanate, diethylene glycol, adipic acid polymer, Diethylene glycol, adipic acid, tolylene diisocyanate polymer, Toluene diisocyanate, diethylene glycol, adipic acid copolymer
| Molecular Formula | C19H26N2O9 |
|---|---|
| Molecular Weight | 426.16 g/mol |
| LogP | 1.63322 |
| Topological Polar Surface Area | 183.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 11 |
| Exact Mass | 426.16382 |
| Heavy Atoms | 30 |
| Complexity | 379.0 |
Chemical Identifiers
| CAS Number | 1085-64-9 |
|---|---|
| SMILES | CC1=C(C=CC=C1N=C=O)N=C=O.C(CCC(=O)O)CC(=O)O.C(COCCO)O |
| InChIKey | GLMINMJWMVZXGT-UHFFFAOYSA-N |
Product Overview
1,3-Diisocyanato-2-methylbenzene;hexanedioic acid;2-(2-hydroxyethoxy)ethanol (CAS 1085-64-9), with molecular formula C19H26N2O9 and molecular weight 426.16 g/mol. IUPAC: 1,3-diisocyanato-2-methylbenzene;hexanedioic acid;2-(2-hydroxyethoxy)ethanol.
Chemical Property Profile of 1,3-Diisocyanato-2-methylbenzene;hexanedioic acid;2-(2-hydroxyethoxy)ethanol
Property Insights of 1,3-Diisocyanato-2-methylbenzene;hexanedioic acid;2-(2-hydroxyethoxy)ethanol
The XLogP value of 1.63322 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3-Diisocyanato-2-methylbenzene;hexanedioic acid;2-(2-hydroxyethoxy)ethanol. The TPSA of 183.0 Ų indicates high polarity, suggesting 1,3-Diisocyanato-2-methylbenzene;hexanedioic acid;2-(2-hydroxyethoxy)ethanol may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 1,3-Diisocyanato-2-methylbenzene;hexanedioic acid;2-(2-hydroxyethoxy)ethanol has 4 hydrogen bond donor(s) and 11 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1,3-Diisocyanato-2-methylbenzene;hexanedioic acid;2-(2-hydroxyethoxy)ethanol?
The CAS number of 1,3-Diisocyanato-2-methylbenzene;hexanedioic acid;2-(2-hydroxyethoxy)ethanol is 1085-64-9.
What is the molecular formula of 1,3-Diisocyanato-2-methylbenzene;hexanedioic acid;2-(2-hydroxyethoxy)ethanol?
The molecular formula of 1,3-Diisocyanato-2-methylbenzene;hexanedioic acid;2-(2-hydroxyethoxy)ethanol is C19H26N2O9.
What is the molecular weight of 1,3-Diisocyanato-2-methylbenzene;hexanedioic acid;2-(2-hydroxyethoxy)ethanol?
The molecular weight of 1,3-Diisocyanato-2-methylbenzene;hexanedioic acid;2-(2-hydroxyethoxy)ethanol is 426.16 g/mol.
Where can I buy 1,3-Diisocyanato-2-methylbenzene;hexanedioic acid;2-(2-hydroxyethoxy)ethanol?
You can request a quote for 1,3-Diisocyanato-2-methylbenzene;hexanedioic acid;2-(2-hydroxyethoxy)ethanol 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-2-methylbenzene;hexanedioic acid;2-(2-hydroxyethoxy)ethanol?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Diisocyanato-2-methylbenzene;hexanedioic acid;2-(2-hydroxyethoxy)ethanol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.