亞硝酸異丙酯
TL;DR: 亞硝酸異丙酯 (CAS 541-42-4) is a chemical compound with molecular formula C3H7NO2 and molecular weight 89.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
亞硝酸異丙酯
propan-2-yl nitrite
Also Known As: Isopropyl nitrite, propan-2-yl nitrite, 2-Propanol nitrite, ISOPROPYLNITRITE, 2-propyl nitrite
| Molecular Formula | C3H7NO2 |
|---|---|
| Molecular Weight | 89.05 g/mol |
| LogP | 0.8 |
| Topological Polar Surface Area | 38.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 89.047676 |
| Heavy Atoms | 6 |
| Complexity | 44.0 |
Chemical Identifiers
| CAS Number | 541-42-4 |
|---|---|
| SMILES | CC(C)ON=O |
| InChIKey | SKRDXYBATCVEMS-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 17 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
亞硝酸異丙酯 (CAS 541-42-4), with molecular formula C3H7NO2 and molecular weight 89.05 g/mol. IUPAC: propan-2-yl nitrite.
Chemical Property Profile of 亞硝酸異丙酯
Property Insights of 亞硝酸異丙酯
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 亞硝酸異丙酯. With a topological polar surface area (TPSA) of 38.7 Ų, 亞硝酸異丙酯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 亞硝酸異丙酯 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 亞硝酸異丙酯?
The CAS number of 亞硝酸異丙酯 is 541-42-4.
What is the molecular formula of 亞硝酸異丙酯?
The molecular formula of 亞硝酸異丙酯 is C3H7NO2.
What is the molecular weight of 亞硝酸異丙酯?
The molecular weight of 亞硝酸異丙酯 is 89.05 g/mol.
Where can I buy 亞硝酸異丙酯?
You can request a quote for 亞硝酸異丙酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 亞硝酸異丙酯?
Yes, KEHONG BIO provides custom synthesis services for 亞硝酸異丙酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.