Toluene-2,4-diisocyanate adduct of dimethylethanolamine
TL;DR: Toluene-2,4-diisocyanate adduct of dimethylethanolamine (CAS 57718-03-3) is a chemical compound with molecular formula C17H28N4O4 and molecular weight 352.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(dimethylamino)ethyl N-[3-[2-(dimethylamino)ethoxycarbonylamino]-4-methylphenyl]carbamate
Also Known As: Toluene-2,4-diisocyanate adduct of dimethylethanolamine, 2-(dimethylamino)ethyl N-[3-[2-(dimethylamino)ethoxycarbonyl, N,N'-BIS(2-DIMETHYLAMINOETHOXYCARBONYL)-4-METHYL-1,3-PHENYLENEDIAMINE, Bis[2-(dimethylamino)ethyl] (4-methyl-1,3-phenylene)biscarbamate, Carbamic acid,3-phenylene)bis-, bis[2-(dimethylamino)ethyl] ester
| Molecular Formula | C17H28N4O4 |
|---|---|
| Molecular Weight | 352.21 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 83.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 10 |
| Exact Mass | 352.21106 |
| Heavy Atoms | 25 |
| Complexity | 417.0 |
Chemical Identifiers
| CAS Number | 57718-03-3 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)NC(=O)OCCN(C)C)NC(=O)OCCN(C)C |
| InChIKey | NEMKDXWIXBPZMH-UHFFFAOYSA-N |
Product Overview
Toluene-2,4-diisocyanate adduct of dimethylethanolamine (CAS 57718-03-3), with molecular formula C17H28N4O4 and molecular weight 352.21 g/mol. IUPAC: 2-(dimethylamino)ethyl N-[3-[2-(dimethylamino)ethoxycarbonylamino]-4-methylphenyl]carbamate.
Chemical Property Profile of Toluene-2,4-diisocyanate adduct of dimethylethanolamine
Property Insights of Toluene-2,4-diisocyanate adduct of dimethylethanolamine
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Toluene-2,4-diisocyanate adduct of dimethylethanolamine. The TPSA of 83.1 Ų falls within the moderate polarity range, balancing permeability and solubility for Toluene-2,4-diisocyanate adduct of dimethylethanolamine. Following Lipinski's Rule of Five, Toluene-2,4-diisocyanate adduct of dimethylethanolamine 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 Toluene-2,4-diisocyanate adduct of dimethylethanolamine?
The CAS number of Toluene-2,4-diisocyanate adduct of dimethylethanolamine is 57718-03-3.
What is the molecular formula of Toluene-2,4-diisocyanate adduct of dimethylethanolamine?
The molecular formula of Toluene-2,4-diisocyanate adduct of dimethylethanolamine is C17H28N4O4.
What is the molecular weight of Toluene-2,4-diisocyanate adduct of dimethylethanolamine?
The molecular weight of Toluene-2,4-diisocyanate adduct of dimethylethanolamine is 352.21 g/mol.
Where can I buy Toluene-2,4-diisocyanate adduct of dimethylethanolamine?
You can request a quote for Toluene-2,4-diisocyanate adduct of dimethylethanolamine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Toluene-2,4-diisocyanate adduct of dimethylethanolamine?
Yes, KEHONG BIO provides custom synthesis services for Toluene-2,4-diisocyanate adduct of dimethylethanolamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.