1-(5-Bromo-7-ethyl-1-benzofuran-2-yl)-2-chloroethanol
TL;DR: 1-(5-Bromo-7-ethyl-1-benzofuran-2-yl)-2-chloroethanol (CAS 57704-13-9) is a chemical compound with molecular formula C12H12BrClO2 and molecular weight 301.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(5-bromo-7-ethyl-1-benzofuran-2-yl)-2-chloroethanol
Also Known As: BG 25, KST-1B6017, 1-(5-bromo-7-ethyl-1-benzofuran-2-yl)-2-chloroethanol, 5-Bromo-alpha-(chloromethyl)-7-ethylbenzofuran-2-methanol, 1-Butyl-4-phenyl-4-isonicotinoylaminoethylpiperidine
| Molecular Formula | C12H12BrClO2 |
|---|---|
| Molecular Weight | 301.97 g/mol |
| LogP | 4.2 |
| Topological Polar Surface Area | 33.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 301.97092 |
| Heavy Atoms | 16 |
| Complexity | 239.0 |
Chemical Identifiers
| CAS Number | 57704-13-9 |
|---|---|
| SMILES | CCC1=C2C(=CC(=C1)Br)C=C(O2)C(CCl)O |
| InChIKey | GPOBDLAUCDZDIJ-UHFFFAOYSA-N |
Product Overview
1-(5-Bromo-7-ethyl-1-benzofuran-2-yl)-2-chloroethanol (CAS 57704-13-9), with molecular formula C12H12BrClO2 and molecular weight 301.97 g/mol. IUPAC: 1-(5-bromo-7-ethyl-1-benzofuran-2-yl)-2-chloroethanol.
Chemical Property Profile of 1-(5-Bromo-7-ethyl-1-benzofuran-2-yl)-2-chloroethanol
Property Insights of 1-(5-Bromo-7-ethyl-1-benzofuran-2-yl)-2-chloroethanol
The XLogP value of 4.2 indicates that 1-(5-Bromo-7-ethyl-1-benzofuran-2-yl)-2-chloroethanol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 33.4 Ų, 1-(5-Bromo-7-ethyl-1-benzofuran-2-yl)-2-chloroethanol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(5-Bromo-7-ethyl-1-benzofuran-2-yl)-2-chloroethanol has 1 hydrogen bond donor(s) and 2 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 1-(5-Bromo-7-ethyl-1-benzofuran-2-yl)-2-chloroethanol?
The CAS number of 1-(5-Bromo-7-ethyl-1-benzofuran-2-yl)-2-chloroethanol is 57704-13-9.
What is the molecular formula of 1-(5-Bromo-7-ethyl-1-benzofuran-2-yl)-2-chloroethanol?
The molecular formula of 1-(5-Bromo-7-ethyl-1-benzofuran-2-yl)-2-chloroethanol is C12H12BrClO2.
What is the molecular weight of 1-(5-Bromo-7-ethyl-1-benzofuran-2-yl)-2-chloroethanol?
The molecular weight of 1-(5-Bromo-7-ethyl-1-benzofuran-2-yl)-2-chloroethanol is 301.97 g/mol.
Where can I buy 1-(5-Bromo-7-ethyl-1-benzofuran-2-yl)-2-chloroethanol?
You can request a quote for 1-(5-Bromo-7-ethyl-1-benzofuran-2-yl)-2-chloroethanol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(5-Bromo-7-ethyl-1-benzofuran-2-yl)-2-chloroethanol?
Yes, KEHONG BIO provides custom synthesis services for 1-(5-Bromo-7-ethyl-1-benzofuran-2-yl)-2-chloroethanol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.