(5-Nitrofuran-2-yl)methyl 4-chlorobenzoate
TL;DR: (5-Nitrofuran-2-yl)methyl 4-chlorobenzoate (CAS 25294-78-4) is a chemical compound with molecular formula C12H8ClNO5 and molecular weight 281.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5-nitrofuran-2-yl)methyl 4-chlorobenzoate
Also Known As: (5-nitrofuran-2-yl)methyl 4-chlorobenzoate, KST-1A3174, 4-chloro-benzoic acid-(5-nitro-furfuryl ester), Benzoic acid,4-chloro-, (5-nitro-2-furanyl)methyl ester
| Molecular Formula | C12H8ClNO5 |
|---|---|
| Molecular Weight | 281.01 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 85.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 281.0091 |
| Heavy Atoms | 19 |
| Complexity | 338.0 |
Chemical Identifiers
| CAS Number | 25294-78-4 |
|---|---|
| SMILES | C1=CC(=CC=C1C(=O)OCC2=CC=C(O2)[N+](=O)[O-])Cl |
| InChIKey | NQCKQAMGKRSLFF-UHFFFAOYSA-N |
Product Overview
(5-Nitrofuran-2-yl)methyl 4-chlorobenzoate (CAS 25294-78-4), with molecular formula C12H8ClNO5 and molecular weight 281.01 g/mol. IUPAC: (5-nitrofuran-2-yl)methyl 4-chlorobenzoate.
Chemical Property Profile of (5-Nitrofuran-2-yl)methyl 4-chlorobenzoate
Property Insights of (5-Nitrofuran-2-yl)methyl 4-chlorobenzoate
The XLogP value of 3.2 indicates that (5-Nitrofuran-2-yl)methyl 4-chlorobenzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 85.3 Ų falls within the moderate polarity range, balancing permeability and solubility for (5-Nitrofuran-2-yl)methyl 4-chlorobenzoate. Following Lipinski's Rule of Five, (5-Nitrofuran-2-yl)methyl 4-chlorobenzoate 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-Nitrofuran-2-yl)methyl 4-chlorobenzoate?
The CAS number of (5-Nitrofuran-2-yl)methyl 4-chlorobenzoate is 25294-78-4.
What is the molecular formula of (5-Nitrofuran-2-yl)methyl 4-chlorobenzoate?
The molecular formula of (5-Nitrofuran-2-yl)methyl 4-chlorobenzoate is C12H8ClNO5.
What is the molecular weight of (5-Nitrofuran-2-yl)methyl 4-chlorobenzoate?
The molecular weight of (5-Nitrofuran-2-yl)methyl 4-chlorobenzoate is 281.01 g/mol.
Where can I buy (5-Nitrofuran-2-yl)methyl 4-chlorobenzoate?
You can request a quote for (5-Nitrofuran-2-yl)methyl 4-chlorobenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (5-Nitrofuran-2-yl)methyl 4-chlorobenzoate?
Yes, KEHONG BIO provides custom synthesis services for (5-Nitrofuran-2-yl)methyl 4-chlorobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.