Octyl nitrite
TL;DR: Octyl nitrite (CAS 629-46-9) is a chemical compound with molecular formula C8H17NO2 and molecular weight 159.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
octyl nitrite
Also Known As: OCTYL NITRITE, 1-octyl nitrite, Nitrous acid, octyl ester, N-OCTYL NITRITE, Nitrous acid octyl ester
| Molecular Formula | C8H17NO2 |
|---|---|
| Molecular Weight | 159.13 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 38.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 159.12593 |
| Heavy Atoms | 11 |
| Complexity | 86.0 |
Chemical Identifiers
| CAS Number | 629-46-9 |
|---|---|
| SMILES | CCCCCCCCON=O |
| InChIKey | QPHJACNABSHDHC-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 14 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Octyl nitrite (CAS 629-46-9), with molecular formula C8H17NO2 and molecular weight 159.13 g/mol. IUPAC: octyl nitrite.
Chemical Property Profile of Octyl nitrite
Property Insights of Octyl nitrite
The XLogP value of 3.5 indicates that Octyl nitrite is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 38.7 Ų, Octyl nitrite exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Octyl 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 Octyl nitrite?
The CAS number of Octyl nitrite is 629-46-9.
What is the molecular formula of Octyl nitrite?
The molecular formula of Octyl nitrite is C8H17NO2.
What is the molecular weight of Octyl nitrite?
The molecular weight of Octyl nitrite is 159.13 g/mol.
Where can I buy Octyl nitrite?
You can request a quote for Octyl nitrite directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Octyl nitrite?
Yes, KEHONG BIO provides custom synthesis services for Octyl nitrite and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.