3-丁烯基亚硝酸酯
TL;DR: 3-丁烯基亚硝酸酯 (CAS 67428-02-8) is a chemical compound with molecular formula C4H7NO2 and molecular weight 101.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-丁烯基亚硝酸酯
but-3-enyl nitrite
Also Known As: Nitrous acid, 3-butenyl ester, but-3-enyl nitrite, 4-nitrosooxy-but-1-ene, CH2=CHCH2CH2ONO, BUT-3-EN-1-YL NITRITE
| Molecular Formula | C4H7NO2 |
|---|---|
| Molecular Weight | 101.05 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 38.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 101.047676 |
| Heavy Atoms | 7 |
| Complexity | 62.0 |
Chemical Identifiers
| CAS Number | 67428-02-8 |
|---|---|
| SMILES | C=CCCON=O |
| InChIKey | JFVMWIXTRPVTDB-UHFFFAOYSA-N |
Product Overview
3-丁烯基亚硝酸酯 (CAS 67428-02-8), with molecular formula C4H7NO2 and molecular weight 101.05 g/mol. IUPAC: but-3-enyl nitrite.
Chemical Property Profile of 3-丁烯基亚硝酸酯
Property Insights of 3-丁烯基亚硝酸酯
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-丁烯基亚硝酸酯. With a topological polar surface area (TPSA) of 38.7 Ų, 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-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-丁烯基亚硝酸酯?
The CAS number of 3-丁烯基亚硝酸酯 is 67428-02-8.
What is the molecular formula of 3-丁烯基亚硝酸酯?
The molecular formula of 3-丁烯基亚硝酸酯 is C4H7NO2.
What is the molecular weight of 3-丁烯基亚硝酸酯?
The molecular weight of 3-丁烯基亚硝酸酯 is 101.05 g/mol.
Where can I buy 3-丁烯基亚硝酸酯?
You can request a quote for 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-丁烯基亚硝酸酯?
Yes, KEHONG BIO provides custom synthesis services for 3-丁烯基亚硝酸酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.