Trimethylolpropane tris((3-isocyanato-4-methylphenyl)carbamate)
TL;DR: Trimethylolpropane tris((3-isocyanato-4-methylphenyl)carbamate) (CAS 1431-54-5) is a chemical compound with molecular formula C33H32N6O9 and molecular weight 656.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,2-bis[(3-isocyanato-4-methylphenyl)carbamoyloxymethyl]butyl N-(3-isocyanato-4-methylphenyl)carbamate
Also Known As: Trimethylolpropane tris((3-isocyanato-4-methylphenyl)carbamate), 2,2-bis[(3-isocyanato-4-methylphenyl)carbamoyloxymethyl]butyl N-(3-isocyanato-4-methylphenyl)carbamate, 2-ethyl-2-[[[[amino]carbonyl]oxy]methyl]propylene carbamate, 1,1,1-Propanetriyltrismethanol tris[(3-isocyanato-4-methylphenyl)carbamate], 1,1,1-TRIS(3-ISOCYANATO-4-METHYLPHENYLCARBAMOYLOXYMETHYL)PROPANE
| Molecular Formula | C33H32N6O9 |
|---|---|
| Molecular Weight | 656.22 g/mol |
| LogP | 8.6 |
| Topological Polar Surface Area | 203.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 16 |
| Exact Mass | 656.2231 |
| Heavy Atoms | 48 |
| Complexity | 1100.0 |
Chemical Identifiers
| CAS Number | 1431-54-5 |
|---|---|
| SMILES | CCC(COC(=O)NC1=CC(=C(C=C1)C)N=C=O)(COC(=O)NC2=CC(=C(C=C2)C)N=C=O)COC(=O)NC3=CC(=C(C=C3)C)N=C=O |
| InChIKey | XHLFUMPVVXAFKO-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Trimethylolpropane tris((3-isocyanato-4-methylphenyl)carbamate) (CAS 1431-54-5), with molecular formula C33H32N6O9 and molecular weight 656.22 g/mol. IUPAC: 2,2-bis[(3-isocyanato-4-methylphenyl)carbamoyloxymethyl]butyl N-(3-isocyanato-4-methylphenyl)carbamate.
Chemical Property Profile of Trimethylolpropane tris((3-isocyanato-4-methylphenyl)carbamate)
Property Insights of Trimethylolpropane tris((3-isocyanato-4-methylphenyl)carbamate)
The XLogP value of 8.6 indicates that Trimethylolpropane tris((3-isocyanato-4-methylphenyl)carbamate) is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 203.0 Ų indicates high polarity, suggesting Trimethylolpropane tris((3-isocyanato-4-methylphenyl)carbamate) may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Trimethylolpropane tris((3-isocyanato-4-methylphenyl)carbamate) has 3 hydrogen bond donor(s) and 12 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Trimethylolpropane tris((3-isocyanato-4-methylphenyl)carbamate)?
The CAS number of Trimethylolpropane tris((3-isocyanato-4-methylphenyl)carbamate) is 1431-54-5.
What is the molecular formula of Trimethylolpropane tris((3-isocyanato-4-methylphenyl)carbamate)?
The molecular formula of Trimethylolpropane tris((3-isocyanato-4-methylphenyl)carbamate) is C33H32N6O9.
What is the molecular weight of Trimethylolpropane tris((3-isocyanato-4-methylphenyl)carbamate)?
The molecular weight of Trimethylolpropane tris((3-isocyanato-4-methylphenyl)carbamate) is 656.22 g/mol.
Where can I buy Trimethylolpropane tris((3-isocyanato-4-methylphenyl)carbamate)?
You can request a quote for Trimethylolpropane tris((3-isocyanato-4-methylphenyl)carbamate) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Trimethylolpropane tris((3-isocyanato-4-methylphenyl)carbamate)?
Yes, KEHONG BIO provides custom synthesis services for Trimethylolpropane tris((3-isocyanato-4-methylphenyl)carbamate) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.