(5-Nitrofuran-2-yl)methyl 2-chloroacetate
TL;DR: (5-Nitrofuran-2-yl)methyl 2-chloroacetate (CAS 74665-38-6) is a chemical compound with molecular formula C7H6ClNO5 and molecular weight 218.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5-nitrofuran-2-yl)methyl 2-chloroacetate
Also Known As: (5-nitrofuran-2-yl)methyl 2-chloroacetate, (5-nitrofuran-2-yl)methyl chloroacetate, KST-1A8039, chloro-acetic acid-(5-chloro-2-methyl-anilide)
| Molecular Formula | C7H6ClNO5 |
|---|---|
| Molecular Weight | 218.99 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 85.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 218.99345 |
| Heavy Atoms | 14 |
| Complexity | 229.0 |
Chemical Identifiers
| CAS Number | 74665-38-6 |
|---|---|
| SMILES | C1=C(OC(=C1)[N+](=O)[O-])COC(=O)CCl |
| InChIKey | KRWLBDULKGWLPN-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
(5-Nitrofuran-2-yl)methyl 2-chloroacetate (CAS 74665-38-6), with molecular formula C7H6ClNO5 and molecular weight 218.99 g/mol. IUPAC: (5-nitrofuran-2-yl)methyl 2-chloroacetate.
Chemical Property Profile of (5-Nitrofuran-2-yl)methyl 2-chloroacetate
Property Insights of (5-Nitrofuran-2-yl)methyl 2-chloroacetate
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (5-Nitrofuran-2-yl)methyl 2-chloroacetate. The TPSA of 85.3 Ų falls within the moderate polarity range, balancing permeability and solubility for (5-Nitrofuran-2-yl)methyl 2-chloroacetate. Following Lipinski's Rule of Five, (5-Nitrofuran-2-yl)methyl 2-chloroacetate 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 2-chloroacetate?
The CAS number of (5-Nitrofuran-2-yl)methyl 2-chloroacetate is 74665-38-6.
What is the molecular formula of (5-Nitrofuran-2-yl)methyl 2-chloroacetate?
The molecular formula of (5-Nitrofuran-2-yl)methyl 2-chloroacetate is C7H6ClNO5.
What is the molecular weight of (5-Nitrofuran-2-yl)methyl 2-chloroacetate?
The molecular weight of (5-Nitrofuran-2-yl)methyl 2-chloroacetate is 218.99 g/mol.
Where can I buy (5-Nitrofuran-2-yl)methyl 2-chloroacetate?
You can request a quote for (5-Nitrofuran-2-yl)methyl 2-chloroacetate 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 2-chloroacetate?
Yes, KEHONG BIO provides custom synthesis services for (5-Nitrofuran-2-yl)methyl 2-chloroacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.