3-Nitropentane
TL;DR: 3-Nitropentane (CAS 551-88-2) is a chemical compound with molecular formula C5H11NO2 and molecular weight 117.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-nitropentane
Also Known As: 3-NITROPENTANE, Pentane, 3-nitro-, Pentane, 3-nitro, 3-nitro-pentane, 3-Nitro-pentan
| Molecular Formula | C5H11NO2 |
|---|---|
| Molecular Weight | 117.08 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 45.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 117.07898 |
| Heavy Atoms | 8 |
| Complexity | 73.0 |
Chemical Identifiers
| CAS Number | 551-88-2 |
|---|---|
| SMILES | CCC(CC)[N+](=O)[O-] |
| InChIKey | RXPKOTQRDGEKFY-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Nitropentane (CAS 551-88-2), with molecular formula C5H11NO2 and molecular weight 117.08 g/mol. IUPAC: 3-nitropentane.
Chemical Property Profile of 3-Nitropentane
Property Insights of 3-Nitropentane
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Nitropentane. With a topological polar surface area (TPSA) of 45.8 Ų, 3-Nitropentane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Nitropentane 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-Nitropentane?
The CAS number of 3-Nitropentane is 551-88-2.
What is the molecular formula of 3-Nitropentane?
The molecular formula of 3-Nitropentane is C5H11NO2.
What is the molecular weight of 3-Nitropentane?
The molecular weight of 3-Nitropentane is 117.08 g/mol.
Where can I buy 3-Nitropentane?
You can request a quote for 3-Nitropentane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Nitropentane?
Yes, KEHONG BIO provides custom synthesis services for 3-Nitropentane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.