2-(Chloromethyl)-5-nitrofuran
TL;DR: 2-(Chloromethyl)-5-nitrofuran (CAS 4098-31-1) is a chemical compound with molecular formula C5H4ClNO3 and molecular weight 160.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(chloromethyl)-5-nitrofuran
Also Known As: 2-(chloromethyl)-5-nitrofuran, 2-bromo-6-methylpyrazine, 2-chloromethyl-5-nitrofuran, 5-Nitro-2-chlor-methyl-furan, 2-(chloromethyl)-5-nitro-furan
| Molecular Formula | C5H4ClNO3 |
|---|---|
| Molecular Weight | 160.99 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 59.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 160.98798 |
| Heavy Atoms | 10 |
| Complexity | 135.0 |
Chemical Identifiers
| CAS Number | 4098-31-1 |
|---|---|
| SMILES | C1=C(OC(=C1)[N+](=O)[O-])CCl |
| InChIKey | DSOVMPOIRQWUJM-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-(Chloromethyl)-5-nitrofuran (CAS 4098-31-1), with molecular formula C5H4ClNO3 and molecular weight 160.99 g/mol. IUPAC: 2-(chloromethyl)-5-nitrofuran.
Chemical Property Profile of 2-(Chloromethyl)-5-nitrofuran
Property Insights of 2-(Chloromethyl)-5-nitrofuran
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(Chloromethyl)-5-nitrofuran. With a topological polar surface area (TPSA) of 59.0 Ų, 2-(Chloromethyl)-5-nitrofuran exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(Chloromethyl)-5-nitrofuran has 0 hydrogen bond donor(s) and 3 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 2-(Chloromethyl)-5-nitrofuran?
The CAS number of 2-(Chloromethyl)-5-nitrofuran is 4098-31-1.
What is the molecular formula of 2-(Chloromethyl)-5-nitrofuran?
The molecular formula of 2-(Chloromethyl)-5-nitrofuran is C5H4ClNO3.
What is the molecular weight of 2-(Chloromethyl)-5-nitrofuran?
The molecular weight of 2-(Chloromethyl)-5-nitrofuran is 160.99 g/mol.
Where can I buy 2-(Chloromethyl)-5-nitrofuran?
You can request a quote for 2-(Chloromethyl)-5-nitrofuran directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(Chloromethyl)-5-nitrofuran?
Yes, KEHONG BIO provides custom synthesis services for 2-(Chloromethyl)-5-nitrofuran and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.