Nitrocyclopentane nitronate
TL;DR: Nitrocyclopentane nitronate (CAS 29916-56-1) is a chemical compound with molecular formula C5H8NO2- and molecular weight 114.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
nitrocyclopentane
Also Known As: Nitrocyclopentane anion, Nitrocyclopentane nitronate, 1-nitrocyclopentan-1-ide, Cyclopentane, nitro-, ion(1-), 1-Nitrocyclopentane-1-ide
| Molecular Formula | C5H8NO2- |
|---|---|
| Molecular Weight | 114.06 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 45.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 114.055504 |
| Heavy Atoms | 8 |
| Complexity | 91.0 |
Chemical Identifiers
| CAS Number | 29916-56-1 |
|---|---|
| SMILES | C1CC[C-](C1)[N+](=O)[O-] |
| InChIKey | MLZSCFYEQAXCDF-UHFFFAOYSA-N |
Product Overview
Nitrocyclopentane nitronate (CAS 29916-56-1), with molecular formula C5H8NO2- and molecular weight 114.06 g/mol. IUPAC: nitrocyclopentane.
Chemical Property Profile of Nitrocyclopentane nitronate
Property Insights of Nitrocyclopentane nitronate
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Nitrocyclopentane nitronate. With a topological polar surface area (TPSA) of 45.8 Ų, Nitrocyclopentane nitronate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Nitrocyclopentane nitronate 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 Nitrocyclopentane nitronate?
The CAS number of Nitrocyclopentane nitronate is 29916-56-1.
What is the molecular formula of Nitrocyclopentane nitronate?
The molecular formula of Nitrocyclopentane nitronate is C5H8NO2-.
What is the molecular weight of Nitrocyclopentane nitronate?
The molecular weight of Nitrocyclopentane nitronate is 114.06 g/mol.
Where can I buy Nitrocyclopentane nitronate?
You can request a quote for Nitrocyclopentane nitronate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Nitrocyclopentane nitronate?
Yes, KEHONG BIO provides custom synthesis services for Nitrocyclopentane nitronate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.