(5-Nitrofuran-2-yl)methyl 3-chloropropanoate
TL;DR: (5-Nitrofuran-2-yl)methyl 3-chloropropanoate (CAS 154504-97-9) is a chemical compound with molecular formula C8H8ClNO5 and molecular weight 233.0091 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(5-nitrofuran-2-yl)methyl 3-chloropropanoate
Also Known As: (5-nitrofuran-2-yl)methyl 3-chloropropanoate, KST-1A1691, 3-Chlor-propionsaeure-(5-nitro-furfur-2-yl-ester)
Technical Specifications
| Molecular Formula | C8H8ClNO5 |
| Molecular Weight | 233.0091 g/mol |
| XLogP | 1.4 |
| Topological Polar Surface Area (TPSA) | 85.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 233.0091 Da |
| Heavy Atoms | 15 |
| Complexity | 242.0 |
| SMILES | C1=C(OC(=C1)[N+](=O)[O-])COC(=O)CCCl |
| InChIKey | WOHKMXWHZYDNNR-UHFFFAOYSA-N |
Chemical Property Profile of (5-Nitrofuran-2-yl)methyl 3-chloropropanoate
Property Insights of (5-Nitrofuran-2-yl)methyl 3-chloropropanoate
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (5-Nitrofuran-2-yl)methyl 3-chloropropanoate. The TPSA of 85.3 Ų falls within the moderate polarity range, balancing permeability and solubility for (5-Nitrofuran-2-yl)methyl 3-chloropropanoate. Following Lipinski's Rule of Five, (5-Nitrofuran-2-yl)methyl 3-chloropropanoate 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
What is the CAS number of (5-Nitrofuran-2-yl)methyl 3-chloropropanoate?
The CAS number of (5-Nitrofuran-2-yl)methyl 3-chloropropanoate is 154504-97-9.
What is the molecular formula of (5-Nitrofuran-2-yl)methyl 3-chloropropanoate?
The molecular formula of (5-Nitrofuran-2-yl)methyl 3-chloropropanoate is C8H8ClNO5.
What is the molecular weight of (5-Nitrofuran-2-yl)methyl 3-chloropropanoate?
The molecular weight of (5-Nitrofuran-2-yl)methyl 3-chloropropanoate is 233.0091 g/mol.
Where can I buy (5-Nitrofuran-2-yl)methyl 3-chloropropanoate?
You can request a quote for (5-Nitrofuran-2-yl)methyl 3-chloropropanoate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for (5-Nitrofuran-2-yl)methyl 3-chloropropanoate?
Yes, CoreyChem provides custom synthesis services for (5-Nitrofuran-2-yl)methyl 3-chloropropanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.