6-Nitro-1-hexene
TL;DR: 6-Nitro-1-hexene (CAS 4812-17-3) is a chemical compound with molecular formula C6H11NO2 and molecular weight 129.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-nitrohex-1-ene
Also Known As: 6-Nitro-1-hexene, 6-nitrohex-1-ene, 1-Hexene, 6-nitro-, 1-nitrohex-5-ene, 6-Nitro-1-hexen
| Molecular Formula | C6H11NO2 |
|---|---|
| Molecular Weight | 129.08 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 45.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 129.07898 |
| Heavy Atoms | 9 |
| Complexity | 95.0 |
Chemical Identifiers
| CAS Number | 4812-17-3 |
|---|---|
| SMILES | C=CCCCC[N+](=O)[O-] |
| InChIKey | BIYYQEVGNGBZAK-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 8 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
6-Nitro-1-hexene (CAS 4812-17-3), with molecular formula C6H11NO2 and molecular weight 129.08 g/mol. IUPAC: 6-nitrohex-1-ene.
Chemical Property Profile of 6-Nitro-1-hexene
Property Insights of 6-Nitro-1-hexene
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-Nitro-1-hexene. With a topological polar surface area (TPSA) of 45.8 Ų, 6-Nitro-1-hexene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 6-Nitro-1-hexene 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 6-Nitro-1-hexene?
The CAS number of 6-Nitro-1-hexene is 4812-17-3.
What is the molecular formula of 6-Nitro-1-hexene?
The molecular formula of 6-Nitro-1-hexene is C6H11NO2.
What is the molecular weight of 6-Nitro-1-hexene?
The molecular weight of 6-Nitro-1-hexene is 129.08 g/mol.
Where can I buy 6-Nitro-1-hexene?
You can request a quote for 6-Nitro-1-hexene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-Nitro-1-hexene?
Yes, KEHONG BIO provides custom synthesis services for 6-Nitro-1-hexene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.