1-(5-Nitro-2-furyl)-1-pentanone
TL;DR: 1-(5-Nitro-2-furyl)-1-pentanone (CAS 90087-91-5) is a chemical compound with molecular formula C9H11NO4 and molecular weight 197.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(5-nitrofuran-2-yl)pentan-1-one
Also Known As: 1-(5-nitrofuran-2-yl)pentan-1-one, 2-valeryl-5-nitrofuran, KST-1B9112, 1-(5-NITRO-2-FURYL)-1-PENTANONE, 663-723-6
| Molecular Formula | C9H11NO4 |
|---|---|
| Molecular Weight | 197.07 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 76.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 197.0688 |
| Heavy Atoms | 14 |
| Complexity | 223.0 |
Chemical Identifiers
| CAS Number | 90087-91-5 |
|---|---|
| SMILES | CCCCC(=O)C1=CC=C(O1)[N+](=O)[O-] |
| InChIKey | WRJRGRSAJDIKAU-UHFFFAOYSA-N |
Product Overview
1-(5-Nitro-2-furyl)-1-pentanone (CAS 90087-91-5), with molecular formula C9H11NO4 and molecular weight 197.07 g/mol. IUPAC: 1-(5-nitrofuran-2-yl)pentan-1-one.
Chemical Property Profile of 1-(5-Nitro-2-furyl)-1-pentanone
Property Insights of 1-(5-Nitro-2-furyl)-1-pentanone
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(5-Nitro-2-furyl)-1-pentanone. The TPSA of 76.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(5-Nitro-2-furyl)-1-pentanone. Following Lipinski's Rule of Five, 1-(5-Nitro-2-furyl)-1-pentanone has 0 hydrogen bond donor(s) and 4 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 1-(5-Nitro-2-furyl)-1-pentanone?
The CAS number of 1-(5-Nitro-2-furyl)-1-pentanone is 90087-91-5.
What is the molecular formula of 1-(5-Nitro-2-furyl)-1-pentanone?
The molecular formula of 1-(5-Nitro-2-furyl)-1-pentanone is C9H11NO4.
What is the molecular weight of 1-(5-Nitro-2-furyl)-1-pentanone?
The molecular weight of 1-(5-Nitro-2-furyl)-1-pentanone is 197.07 g/mol.
Where can I buy 1-(5-Nitro-2-furyl)-1-pentanone?
You can request a quote for 1-(5-Nitro-2-furyl)-1-pentanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(5-Nitro-2-furyl)-1-pentanone?
Yes, KEHONG BIO provides custom synthesis services for 1-(5-Nitro-2-furyl)-1-pentanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.