2-Nitro-1-butene
TL;DR: 2-Nitro-1-butene (CAS 2783-12-2) 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.
2-nitrobut-1-ene
Also Known As: 2-Nitro-1-butene, 2-Nitrobutene, 2-nitrobut-1-ene, 1-BUTENE, 2-NITRO-, 2-nitro-but-1-ene
| Molecular Formula | C4H7NO2 |
|---|---|
| Molecular Weight | 101.05 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 45.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 101.047676 |
| Heavy Atoms | 7 |
| Complexity | 92.0 |
Chemical Identifiers
| CAS Number | 2783-12-2 |
|---|---|
| SMILES | CCC(=C)[N+](=O)[O-] |
| InChIKey | XMBCIDWARZDYSD-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Nitro-1-butene (CAS 2783-12-2), with molecular formula C4H7NO2 and molecular weight 101.05 g/mol. IUPAC: 2-nitrobut-1-ene.
Chemical Property Profile of 2-Nitro-1-butene
Property Insights of 2-Nitro-1-butene
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Nitro-1-butene. With a topological polar surface area (TPSA) of 45.8 Ų, 2-Nitro-1-butene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Nitro-1-butene has 0 hydrogen bond donor(s) and 2 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 2-Nitro-1-butene?
The CAS number of 2-Nitro-1-butene is 2783-12-2.
What is the molecular formula of 2-Nitro-1-butene?
The molecular formula of 2-Nitro-1-butene is C4H7NO2.
What is the molecular weight of 2-Nitro-1-butene?
The molecular weight of 2-Nitro-1-butene is 101.05 g/mol.
Where can I buy 2-Nitro-1-butene?
You can request a quote for 2-Nitro-1-butene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Nitro-1-butene?
Yes, KEHONG BIO provides custom synthesis services for 2-Nitro-1-butene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.