3-Nitro-pent-2-ene
TL;DR: 3-Nitro-pent-2-ene (CAS 6065-18-5) 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-nitropent-2-ene
Also Known As: 3-nitro-pent-2-ene, 3-Nitro-2-pentene, 3-Nitro-3-pentene, 2-Pentene, 3-nitro-, 3-Pentene, 3-nitro-
| Molecular Formula | C5H9NO2 |
|---|---|
| Molecular Weight | 115.06 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 45.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 115.06333 |
| Heavy Atoms | 8 |
| Complexity | 112.0 |
Chemical Identifiers
| CAS Number | 6065-18-5 |
|---|---|
| SMILES | CCC(=CC)[N+](=O)[O-] |
| InChIKey | YIBXYMGXPUOVPU-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Nitro-pent-2-ene (CAS 6065-18-5), with molecular formula C5H9NO2 and molecular weight 115.06 g/mol. IUPAC: 3-nitropent-2-ene.
Chemical Property Profile of 3-Nitro-pent-2-ene
Property Insights of 3-Nitro-pent-2-ene
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Nitro-pent-2-ene. With a topological polar surface area (TPSA) of 45.8 Ų, 3-Nitro-pent-2-ene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Nitro-pent-2-ene 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 3-Nitro-pent-2-ene?
The CAS number of 3-Nitro-pent-2-ene is 6065-18-5.
What is the molecular formula of 3-Nitro-pent-2-ene?
The molecular formula of 3-Nitro-pent-2-ene is C5H9NO2.
What is the molecular weight of 3-Nitro-pent-2-ene?
The molecular weight of 3-Nitro-pent-2-ene is 115.06 g/mol.
Where can I buy 3-Nitro-pent-2-ene?
You can request a quote for 3-Nitro-pent-2-ene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Nitro-pent-2-ene?
Yes, KEHONG BIO provides custom synthesis services for 3-Nitro-pent-2-ene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.