1-Benzyl-2-isocyanatobenzene
TL;DR: 1-Benzyl-2-isocyanatobenzene (CAS 146446-96-0) 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.
1-benzyl-2-isocyanatobenzene
Also Known As: 2-Benzylphenyl isocyanate, 1-benzyl-2-isocyanatobenzene, 2-benzylphenylisocyanate, 2-benzylphenyl-isocyanate, 1-benzyl-2-isocyanato-benzene
| Molecular Formula | C14H11NO |
|---|---|
| Molecular Weight | 209.08 g/mol |
| LogP | 3.2447 |
| 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 | 513.2684 |
Chemical Identifiers
| CAS Number | 146446-96-0 |
|---|---|
| SMILES | C1=CC=C(C=C1)CC2=CC=CC=C2N=C=O |
Product Overview
1-Benzyl-2-isocyanatobenzene (CAS 146446-96-0), with molecular formula C14H11NO and molecular weight 209.08 g/mol. IUPAC: 1-benzyl-2-isocyanatobenzene.
Chemical Property Profile of 1-Benzyl-2-isocyanatobenzene
Property Insights of 1-Benzyl-2-isocyanatobenzene
The XLogP value of 3.2447 indicates that 1-Benzyl-2-isocyanatobenzene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 29.43 Ų, 1-Benzyl-2-isocyanatobenzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Benzyl-2-isocyanatobenzene 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 1-Benzyl-2-isocyanatobenzene?
The CAS number of 1-Benzyl-2-isocyanatobenzene is 146446-96-0.
What is the molecular formula of 1-Benzyl-2-isocyanatobenzene?
The molecular formula of 1-Benzyl-2-isocyanatobenzene is C14H11NO.
What is the molecular weight of 1-Benzyl-2-isocyanatobenzene?
The molecular weight of 1-Benzyl-2-isocyanatobenzene is 209.08 g/mol.
Where can I buy 1-Benzyl-2-isocyanatobenzene?
You can request a quote for 1-Benzyl-2-isocyanatobenzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Benzyl-2-isocyanatobenzene?
Yes, KEHONG BIO provides custom synthesis services for 1-Benzyl-2-isocyanatobenzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.