1,3-Diazetidine-2,4-dione, 1,3-bis(4-isocyanato-3-methylphenyl)-
TL;DR: 1,3-Diazetidine-2,4-dione, 1,3-bis(4-isocyanato-3-methylphenyl)- (CAS 68555-56-6) is a chemical compound with molecular formula C18H12N4O4 and molecular weight 348.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,3-bis(4-isocyanato-3-methylphenyl)-1,3-diazetidine-2,4-dione
Also Known As: 2,5-Toluenediisocyanate dimer, 1,3-Diazetidine-2,4-dione, 1,3-bis(4-isocyanato-3-methylphenyl)-, 1,3-bis(4-isocyanato-3-methylphenyl)-1,3-diazetidine-2,4-dione, 2,4-Dioxo-1,3-diazetidine-1,3-bis(3-methyl-p-phenylene) diisocyanate, BIS(4-ISOCYANATO-3-METHYLPHENYL)-1,3-DIAZETIDINE-2,4-DIONE
| Molecular Formula | C18H12N4O4 |
|---|---|
| Molecular Weight | 348.09 g/mol |
| LogP | 5.0 |
| Topological Polar Surface Area | 99.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 348.08585 |
| Heavy Atoms | 26 |
| Complexity | 609.0 |
Chemical Identifiers
| CAS Number | 68555-56-6 |
|---|---|
| SMILES | CC1=C(C=CC(=C1)N2C(=O)N(C2=O)C3=CC(=C(C=C3)N=C=O)C)N=C=O |
| InChIKey | FFCQMNGJCHMYPZ-UHFFFAOYSA-N |
Product Overview
1,3-Diazetidine-2,4-dione, 1,3-bis(4-isocyanato-3-methylphenyl)- (CAS 68555-56-6), with molecular formula C18H12N4O4 and molecular weight 348.09 g/mol. IUPAC: 1,3-bis(4-isocyanato-3-methylphenyl)-1,3-diazetidine-2,4-dione.
Chemical Property Profile of 1,3-Diazetidine-2,4-dione, 1,3-bis(4-isocyanato-3-methylphenyl)-
Property Insights of 1,3-Diazetidine-2,4-dione, 1,3-bis(4-isocyanato-3-methylphenyl)-
The XLogP value of 5.0 indicates that 1,3-Diazetidine-2,4-dione, 1,3-bis(4-isocyanato-3-methylphenyl)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 99.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,3-Diazetidine-2,4-dione, 1,3-bis(4-isocyanato-3-methylphenyl)-. Following Lipinski's Rule of Five, 1,3-Diazetidine-2,4-dione, 1,3-bis(4-isocyanato-3-methylphenyl)- has 0 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 1,3-Diazetidine-2,4-dione, 1,3-bis(4-isocyanato-3-methylphenyl)-?
The CAS number of 1,3-Diazetidine-2,4-dione, 1,3-bis(4-isocyanato-3-methylphenyl)- is 68555-56-6.
What is the molecular formula of 1,3-Diazetidine-2,4-dione, 1,3-bis(4-isocyanato-3-methylphenyl)-?
The molecular formula of 1,3-Diazetidine-2,4-dione, 1,3-bis(4-isocyanato-3-methylphenyl)- is C18H12N4O4.
What is the molecular weight of 1,3-Diazetidine-2,4-dione, 1,3-bis(4-isocyanato-3-methylphenyl)-?
The molecular weight of 1,3-Diazetidine-2,4-dione, 1,3-bis(4-isocyanato-3-methylphenyl)- is 348.09 g/mol.
Where can I buy 1,3-Diazetidine-2,4-dione, 1,3-bis(4-isocyanato-3-methylphenyl)-?
You can request a quote for 1,3-Diazetidine-2,4-dione, 1,3-bis(4-isocyanato-3-methylphenyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3-Diazetidine-2,4-dione, 1,3-bis(4-isocyanato-3-methylphenyl)-?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Diazetidine-2,4-dione, 1,3-bis(4-isocyanato-3-methylphenyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.