5-硝基-2-呋喃甲酸丙酯
TL;DR: 5-硝基-2-呋喃甲酸丙酯 (CAS 20001-36-9) is a chemical compound with molecular formula C8H9NO5 and molecular weight 199.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-硝基-2-呋喃甲酸丙酯
propyl 5-nitrofuran-2-carboxylate
Also Known As: n-Propyl-5-nitro-2-furoate, propyl 5-nitrofuran-2-carboxylate, NCIOpen2_000765, 2-Furoic acid, propyl ester, 2-Nitrofuran-5-carboxylate propyl ester
| Molecular Formula | C8H9NO5 |
|---|---|
| Molecular Weight | 199.05 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 85.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 199.04807 |
| Heavy Atoms | 14 |
| Complexity | 224.0 |
Chemical Identifiers
| CAS Number | 20001-36-9 |
|---|---|
| SMILES | CCCOC(=O)C1=CC=C(O1)[N+](=O)[O-] |
| InChIKey | KDWMOTCARFFLTQ-UHFFFAOYSA-N |
Product Overview
5-硝基-2-呋喃甲酸丙酯 (CAS 20001-36-9), with molecular formula C8H9NO5 and molecular weight 199.05 g/mol. IUPAC: propyl 5-nitrofuran-2-carboxylate.
Chemical Property Profile of 5-硝基-2-呋喃甲酸丙酯
Property Insights of 5-硝基-2-呋喃甲酸丙酯
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-硝基-2-呋喃甲酸丙酯. The TPSA of 85.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-硝基-2-呋喃甲酸丙酯. Following Lipinski's Rule of Five, 5-硝基-2-呋喃甲酸丙酯 has 0 hydrogen bond donor(s) and 5 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 5-硝基-2-呋喃甲酸丙酯?
The CAS number of 5-硝基-2-呋喃甲酸丙酯 is 20001-36-9.
What is the molecular formula of 5-硝基-2-呋喃甲酸丙酯?
The molecular formula of 5-硝基-2-呋喃甲酸丙酯 is C8H9NO5.
What is the molecular weight of 5-硝基-2-呋喃甲酸丙酯?
The molecular weight of 5-硝基-2-呋喃甲酸丙酯 is 199.05 g/mol.
Where can I buy 5-硝基-2-呋喃甲酸丙酯?
You can request a quote for 5-硝基-2-呋喃甲酸丙酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-硝基-2-呋喃甲酸丙酯?
Yes, KEHONG BIO provides custom synthesis services for 5-硝基-2-呋喃甲酸丙酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.