Benzyl isocyanide
TL;DR: Benzyl isocyanide (CAS 10340-91-7) is a chemical compound with molecular formula C8H7N and molecular weight 117.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
isocyanomethylbenzene
Also Known As: Benzyl isocyanide, BenzylIsocyanide, Isocyanomethylbenzene, (isocyanomethyl)benzene, Benzyl isonitrile
| Molecular Formula | C8H7N |
|---|---|
| Molecular Weight | 117.06 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 4.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 117.057846 |
| Heavy Atoms | 9 |
| Complexity | 114.0 |
Chemical Identifiers
| CAS Number | 10340-91-7 |
|---|---|
| SMILES | [C-]#[N+]CC1=CC=CC=C1 |
| InChIKey | RIWNFZUWWRVGEU-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 15 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Benzyl isocyanide (CAS 10340-91-7), with molecular formula C8H7N and molecular weight 117.06 g/mol. IUPAC: isocyanomethylbenzene.
Chemical Property Profile of Benzyl isocyanide
Property Insights of Benzyl isocyanide
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzyl isocyanide. With a topological polar surface area (TPSA) of 4.4 Ų, Benzyl isocyanide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzyl isocyanide has 0 hydrogen bond donor(s) and 1 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 Benzyl isocyanide?
The CAS number of Benzyl isocyanide is 10340-91-7.
What is the molecular formula of Benzyl isocyanide?
The molecular formula of Benzyl isocyanide is C8H7N.
What is the molecular weight of Benzyl isocyanide?
The molecular weight of Benzyl isocyanide is 117.06 g/mol.
Where can I buy Benzyl isocyanide?
You can request a quote for Benzyl isocyanide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzyl isocyanide?
Yes, KEHONG BIO provides custom synthesis services for Benzyl isocyanide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.