Benzyl nitrite
TL;DR: Benzyl nitrite (CAS 935-05-7) is a chemical compound with molecular formula C1=CC=C(C=C1)CON=O and molecular weight 137.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
benzyl nitrite
Also Known As: Benzyl nitrite, benzylnitrite, Benzylnitrit, Phenylmethyl nitrite, Nitrousacidbenzylester
| Molecular Formula | C1=CC=C(C=C1)CON=O |
|---|---|
| Molecular Weight | 137.05 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 38.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 137.04768 |
| Heavy Atoms | 10 |
| Complexity | 99.0 |
Chemical Identifiers
| CAS Number | 935-05-7 |
|---|---|
| SMILES | C1=CC=C(C=C1)CON=O |
| InChIKey | IYYGLLJDALWAMD-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 10 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Benzyl nitrite (CAS 935-05-7), with molecular formula C1=CC=C(C=C1)CON=O and molecular weight 137.05 g/mol. IUPAC: benzyl nitrite.
Chemical Property Profile of Benzyl nitrite
Property Insights of Benzyl nitrite
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzyl nitrite. With a topological polar surface area (TPSA) of 38.7 Ų, Benzyl nitrite exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzyl nitrite has 0 hydrogen bond donor(s) and 3 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 nitrite?
The CAS number of Benzyl nitrite is 935-05-7.
What is the molecular formula of Benzyl nitrite?
The molecular formula of Benzyl nitrite is C1=CC=C(C=C1)CON=O.
What is the molecular weight of Benzyl nitrite?
The molecular weight of Benzyl nitrite is 137.05 g/mol.
Where can I buy Benzyl nitrite?
You can request a quote for Benzyl nitrite directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzyl nitrite?
Yes, KEHONG BIO provides custom synthesis services for Benzyl nitrite and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.