5-Chloro-3-methyl-2-nitrobenzofuran
TL;DR: 5-Chloro-3-methyl-2-nitrobenzofuran (CAS 33094-74-5) is a chemical compound with molecular formula C9H6ClNO3 and molecular weight 211.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-chloro-3-methyl-2-nitro-1-benzofuran
Also Known As: 5-Chloro-3-methyl-2-nitrobenzofuran, 5-chloro-3-methyl-2-nitro-1-benzofuran, 2-Nitro-3-methyl-5-chlorobenzofuran, BENZOFURAN, 5-CHLORO-3-METHYL-2-NITRO-, R 5216
| Molecular Formula | C9H6ClNO3 |
|---|---|
| Molecular Weight | 211.00 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 59.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 211.00362 |
| Heavy Atoms | 14 |
| Complexity | 243.0 |
Chemical Identifiers
| CAS Number | 33094-74-5 |
|---|---|
| SMILES | CC1=C(OC2=C1C=C(C=C2)Cl)[N+](=O)[O-] |
| InChIKey | MIOVLWAREAVVGN-UHFFFAOYSA-N |
Product Overview
5-Chloro-3-methyl-2-nitrobenzofuran (CAS 33094-74-5), with molecular formula C9H6ClNO3 and molecular weight 211.00 g/mol. IUPAC: 5-chloro-3-methyl-2-nitro-1-benzofuran.
Chemical Property Profile of 5-Chloro-3-methyl-2-nitrobenzofuran
Property Insights of 5-Chloro-3-methyl-2-nitrobenzofuran
The XLogP value of 3.5 indicates that 5-Chloro-3-methyl-2-nitrobenzofuran is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 59.0 Ų, 5-Chloro-3-methyl-2-nitrobenzofuran exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-Chloro-3-methyl-2-nitrobenzofuran 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 5-Chloro-3-methyl-2-nitrobenzofuran?
The CAS number of 5-Chloro-3-methyl-2-nitrobenzofuran is 33094-74-5.
What is the molecular formula of 5-Chloro-3-methyl-2-nitrobenzofuran?
The molecular formula of 5-Chloro-3-methyl-2-nitrobenzofuran is C9H6ClNO3.
What is the molecular weight of 5-Chloro-3-methyl-2-nitrobenzofuran?
The molecular weight of 5-Chloro-3-methyl-2-nitrobenzofuran is 211.00 g/mol.
Where can I buy 5-Chloro-3-methyl-2-nitrobenzofuran?
You can request a quote for 5-Chloro-3-methyl-2-nitrobenzofuran directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Chloro-3-methyl-2-nitrobenzofuran?
Yes, KEHONG BIO provides custom synthesis services for 5-Chloro-3-methyl-2-nitrobenzofuran and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.