亞硝酸正戊酯
TL;DR: 亞硝酸正戊酯 (CAS 463-04-7) is a chemical compound with molecular formula C5H11NO2 and molecular weight 117.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
亞硝酸正戊酯
pentyl nitrite
Also Known As: Pentyl nitrite, Amyl nitrite, n-Amyl nitrite, Nitramyl, n-Pentyl nitrite
| Molecular Formula | C5H11NO2 |
|---|---|
| Molecular Weight | 117.08 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 38.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 117.07898 |
| Heavy Atoms | 8 |
| Complexity | 56.0 |
| Boiling Point | 104.5 °C |
| Density | 0.8817 g/cu cm at 20 °C |
| Solubility | Slightly soluble in water |
| Vapor Pressure | 3.97 mm Hg at 25 °C |
| Refractive Index | 1.3851 at 20 °C |
Chemical Identifiers
| CAS Number | 463-04-7 |
|---|---|
| SMILES | CCCCCON=O |
| InChIKey | CSDTZUBPSYWZDX-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 20 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
亞硝酸正戊酯 (CAS 463-04-7), with molecular formula C5H11NO2 and molecular weight 117.08 g/mol. IUPAC: pentyl nitrite.
Chemical Property Profile of 亞硝酸正戊酯
Property Insights of 亞硝酸正戊酯
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 亞硝酸正戊酯. With a topological polar surface area (TPSA) of 38.7 Ų, 亞硝酸正戊酯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 亞硝酸正戊酯 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 亞硝酸正戊酯?
The CAS number of 亞硝酸正戊酯 is 463-04-7.
What is the molecular formula of 亞硝酸正戊酯?
The molecular formula of 亞硝酸正戊酯 is C5H11NO2.
What is the molecular weight of 亞硝酸正戊酯?
The molecular weight of 亞硝酸正戊酯 is 117.08 g/mol.
Where can I buy 亞硝酸正戊酯?
You can request a quote for 亞硝酸正戊酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 亞硝酸正戊酯?
Yes, KEHONG BIO provides custom synthesis services for 亞硝酸正戊酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.