(Isocyanatomethylene)dibenzene
TL;DR: (Isocyanatomethylene)dibenzene (CAS 3066-44-2) is a chemical compound with molecular formula C14H11NO and molecular weight 209.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[isocyanato(phenyl)methyl]benzene
Also Known As: Diphenylmethyl isocyanate, [isocyanato(phenyl)methyl]benzene, diphenylmethylisocyanate, isocyanatodiphenylmethane, benzhydryl isocyanate
| Molecular Formula | C14H11NO |
|---|---|
| Molecular Weight | 209.08 g/mol |
| LogP | 3.1118 |
| Topological Polar Surface Area | 29.43 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 209.08406 |
| Heavy Atoms | 16 |
| Complexity | 447.1585 |
Chemical Identifiers
| CAS Number | 3066-44-2 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(C2=CC=CC=C2)N=C=O |
Product Overview
(Isocyanatomethylene)dibenzene (CAS 3066-44-2), with molecular formula C14H11NO and molecular weight 209.08 g/mol. IUPAC: [isocyanato(phenyl)methyl]benzene.
Chemical Property Profile of (Isocyanatomethylene)dibenzene
Property Insights of (Isocyanatomethylene)dibenzene
The XLogP value of 3.1118 indicates that (Isocyanatomethylene)dibenzene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 29.43 Ų, (Isocyanatomethylene)dibenzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (Isocyanatomethylene)dibenzene has 0 hydrogen bond donor(s) and 2 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 (Isocyanatomethylene)dibenzene?
The CAS number of (Isocyanatomethylene)dibenzene is 3066-44-2.
What is the molecular formula of (Isocyanatomethylene)dibenzene?
The molecular formula of (Isocyanatomethylene)dibenzene is C14H11NO.
What is the molecular weight of (Isocyanatomethylene)dibenzene?
The molecular weight of (Isocyanatomethylene)dibenzene is 209.08 g/mol.
Where can I buy (Isocyanatomethylene)dibenzene?
You can request a quote for (Isocyanatomethylene)dibenzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (Isocyanatomethylene)dibenzene?
Yes, KEHONG BIO provides custom synthesis services for (Isocyanatomethylene)dibenzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.