1-Isocyanato-4-(isocyanatomethyl)benzene
TL;DR: 1-Isocyanato-4-(isocyanatomethyl)benzene (CAS 99741-73-8) is a chemical compound with molecular formula C9H6N2O2 and molecular weight 174.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-isocyanato-4-(isocyanatomethyl)benzene
Also Known As: 1-isocyanato-4-(isocyanatomethyl)benzene, Tolylene-alpha,4-diisocyanate, 4-Isocyanatobenzyl isocyanate, p-Isocyanatobenzyl isocyanate, 4-isocyanato-benzyl isocyanate
| Molecular Formula | C9H6N2O2 |
|---|---|
| Molecular Weight | 174.04 g/mol |
| LogP | 1.4897 |
| Topological Polar Surface Area | 58.86 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 174.04292 |
| Heavy Atoms | 13 |
| Complexity | 371.1061 |
Chemical Identifiers
| CAS Number | 99741-73-8 |
|---|---|
| SMILES | C1=CC(=CC=C1CN=C=O)N=C=O |
Product Overview
1-Isocyanato-4-(isocyanatomethyl)benzene (CAS 99741-73-8), with molecular formula C9H6N2O2 and molecular weight 174.04 g/mol. IUPAC: 1-isocyanato-4-(isocyanatomethyl)benzene.
Chemical Property Profile of 1-Isocyanato-4-(isocyanatomethyl)benzene
Property Insights of 1-Isocyanato-4-(isocyanatomethyl)benzene
The XLogP value of 1.4897 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Isocyanato-4-(isocyanatomethyl)benzene. With a topological polar surface area (TPSA) of 58.86 Ų, 1-Isocyanato-4-(isocyanatomethyl)benzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Isocyanato-4-(isocyanatomethyl)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-(isocyanatomethyl)benzene?
The CAS number of 1-Isocyanato-4-(isocyanatomethyl)benzene is 99741-73-8.
What is the molecular formula of 1-Isocyanato-4-(isocyanatomethyl)benzene?
The molecular formula of 1-Isocyanato-4-(isocyanatomethyl)benzene is C9H6N2O2.
What is the molecular weight of 1-Isocyanato-4-(isocyanatomethyl)benzene?
The molecular weight of 1-Isocyanato-4-(isocyanatomethyl)benzene is 174.04 g/mol.
Where can I buy 1-Isocyanato-4-(isocyanatomethyl)benzene?
You can request a quote for 1-Isocyanato-4-(isocyanatomethyl)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-(isocyanatomethyl)benzene?
Yes, KEHONG BIO provides custom synthesis services for 1-Isocyanato-4-(isocyanatomethyl)benzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.