3-甲基-3-丁烯基亚硝酸酯
TL;DR: 3-甲基-3-丁烯基亚硝酸酯 (CAS 86854-64-0) is a chemical compound with molecular formula C5H9NO2 and molecular weight 115.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-甲基-3-丁烯基亚硝酸酯
3-methylbut-3-enyl nitrite
Also Known As: Nitrous acid, 3-methyl-3-butenyl ester, 3-methylbut-3-enyl nitrite, 3-METHYLBUT-3-EN-1-YL NITRITE
| Molecular Formula | C5H9NO2 |
|---|---|
| Molecular Weight | 115.06 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 38.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 115.06333 |
| Heavy Atoms | 8 |
| Complexity | 90.0 |
Chemical Identifiers
| CAS Number | 86854-64-0 |
|---|---|
| SMILES | CC(=C)CCON=O |
| InChIKey | NGOHFSQEKJJJIG-UHFFFAOYSA-N |
Product Overview
3-甲基-3-丁烯基亚硝酸酯 (CAS 86854-64-0), with molecular formula C5H9NO2 and molecular weight 115.06 g/mol. IUPAC: 3-methylbut-3-enyl nitrite.
Chemical Property Profile of 3-甲基-3-丁烯基亚硝酸酯
Property Insights of 3-甲基-3-丁烯基亚硝酸酯
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-甲基-3-丁烯基亚硝酸酯. With a topological polar surface area (TPSA) of 38.7 Ų, 3-甲基-3-丁烯基亚硝酸酯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-甲基-3-丁烯基亚硝酸酯 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 3-甲基-3-丁烯基亚硝酸酯?
The CAS number of 3-甲基-3-丁烯基亚硝酸酯 is 86854-64-0.
What is the molecular formula of 3-甲基-3-丁烯基亚硝酸酯?
The molecular formula of 3-甲基-3-丁烯基亚硝酸酯 is C5H9NO2.
What is the molecular weight of 3-甲基-3-丁烯基亚硝酸酯?
The molecular weight of 3-甲基-3-丁烯基亚硝酸酯 is 115.06 g/mol.
Where can I buy 3-甲基-3-丁烯基亚硝酸酯?
You can request a quote for 3-甲基-3-丁烯基亚硝酸酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-甲基-3-丁烯基亚硝酸酯?
Yes, KEHONG BIO provides custom synthesis services for 3-甲基-3-丁烯基亚硝酸酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.