5-Chloro-2-methylbenzofuran
TL;DR: 5-Chloro-2-methylbenzofuran (CAS 42180-82-5) is a chemical compound with molecular formula C9H7ClO and molecular weight 166.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-chloro-2-methyl-1-benzofuran
Also Known As: 5-CHLORO-2-METHYLBENZOFURAN, 5-Chloro-2-methyl-1-benzofuran, 5-chloro-2-methyl-Benzofuran, Benzofuran, 5-chloro-2-methyl-, 5-chloro-2-methyl benzofuran
| Molecular Formula | C9H7ClO |
|---|---|
| Molecular Weight | 166.02 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 13.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 166.01854 |
| Heavy Atoms | 11 |
| Complexity | 148.0 |
Chemical Identifiers
| CAS Number | 42180-82-5 |
|---|---|
| SMILES | CC1=CC2=C(O1)C=CC(=C2)Cl |
| InChIKey | UDTLANWPHSQSCO-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
5-Chloro-2-methylbenzofuran (CAS 42180-82-5), with molecular formula C9H7ClO and molecular weight 166.02 g/mol. IUPAC: 5-chloro-2-methyl-1-benzofuran.
Chemical Property Profile of 5-Chloro-2-methylbenzofuran
Property Insights of 5-Chloro-2-methylbenzofuran
The XLogP value of 3.4 indicates that 5-Chloro-2-methylbenzofuran is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 13.1 Ų, 5-Chloro-2-methylbenzofuran exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-Chloro-2-methylbenzofuran has 0 hydrogen bond donor(s) and 1 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-2-methylbenzofuran?
The CAS number of 5-Chloro-2-methylbenzofuran is 42180-82-5.
What is the molecular formula of 5-Chloro-2-methylbenzofuran?
The molecular formula of 5-Chloro-2-methylbenzofuran is C9H7ClO.
What is the molecular weight of 5-Chloro-2-methylbenzofuran?
The molecular weight of 5-Chloro-2-methylbenzofuran is 166.02 g/mol.
Where can I buy 5-Chloro-2-methylbenzofuran?
You can request a quote for 5-Chloro-2-methylbenzofuran directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Chloro-2-methylbenzofuran?
Yes, KEHONG BIO provides custom synthesis services for 5-Chloro-2-methylbenzofuran and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.