1-Isocyanato-4-(2-isocyanato-2-methylpropyl)benzene
TL;DR: 1-Isocyanato-4-(2-isocyanato-2-methylpropyl)benzene (CAS 198283-44-2) is a chemical compound with molecular formula C12H12N2O2 and molecular weight 216.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-isocyanato-4-(2-isocyanato-2-methylpropyl)benzene
Also Known As: 1-isocyanato-4-(2-isocyanato-2-methylpropyl)benzene, Benzene, 1-isocyanato-4-(2-isocyanato-2-methylpropyl)- (9CI), 1-isocyanato-4-(2-isocyanato-2-methyl-propyl)benzene, BENZENE, 1-ISOCYANATO-4-(2-ISOCYANATO-2-METHYLPROPYL)-
| Molecular Formula | C12H12N2O2 |
|---|---|
| Molecular Weight | 216.09 g/mol |
| LogP | 2.3108 |
| Topological Polar Surface Area | 58.86 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 216.08987 |
| Heavy Atoms | 16 |
| Complexity | 450.41205 |
Chemical Identifiers
| CAS Number | 198283-44-2 |
|---|---|
| SMILES | CC(C)(CC1=CC=C(C=C1)N=C=O)N=C=O |
Product Overview
1-Isocyanato-4-(2-isocyanato-2-methylpropyl)benzene (CAS 198283-44-2), with molecular formula C12H12N2O2 and molecular weight 216.09 g/mol. IUPAC: 1-isocyanato-4-(2-isocyanato-2-methylpropyl)benzene.
Chemical Property Profile of 1-Isocyanato-4-(2-isocyanato-2-methylpropyl)benzene
Property Insights of 1-Isocyanato-4-(2-isocyanato-2-methylpropyl)benzene
The XLogP value of 2.3108 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Isocyanato-4-(2-isocyanato-2-methylpropyl)benzene. With a topological polar surface area (TPSA) of 58.86 Ų, 1-Isocyanato-4-(2-isocyanato-2-methylpropyl)benzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Isocyanato-4-(2-isocyanato-2-methylpropyl)benzene has 0 hydrogen bond donor(s) and 4 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-Isocyanato-4-(2-isocyanato-2-methylpropyl)benzene?
The CAS number of 1-Isocyanato-4-(2-isocyanato-2-methylpropyl)benzene is 198283-44-2.
What is the molecular formula of 1-Isocyanato-4-(2-isocyanato-2-methylpropyl)benzene?
The molecular formula of 1-Isocyanato-4-(2-isocyanato-2-methylpropyl)benzene is C12H12N2O2.
What is the molecular weight of 1-Isocyanato-4-(2-isocyanato-2-methylpropyl)benzene?
The molecular weight of 1-Isocyanato-4-(2-isocyanato-2-methylpropyl)benzene is 216.09 g/mol.
Where can I buy 1-Isocyanato-4-(2-isocyanato-2-methylpropyl)benzene?
You can request a quote for 1-Isocyanato-4-(2-isocyanato-2-methylpropyl)benzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Isocyanato-4-(2-isocyanato-2-methylpropyl)benzene?
Yes, KEHONG BIO provides custom synthesis services for 1-Isocyanato-4-(2-isocyanato-2-methylpropyl)benzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.