ChemDiv1_006028
TL;DR: ChemDiv1_006028 (CAS 308295-68-3) is a chemical compound with molecular formula C21H19BrO6 and molecular weight 446.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 6-bromo-5-[2-(4-methoxyphenyl)-2-oxoethoxy]-2-methyl-1-benzofuran-3-carboxylate
Also Known As: ChemDiv1_006028, ethyl 6-bromo-5-[2-(4-methoxyphenyl)-2-oxoethoxy]-2-methyl-1-benzofuran-3-carboxylate, F0821-0350, ethyl 6-bromo-5-(2-(4-methoxyphenyl)-2-oxoethoxy)-2-methylbenzofuran-3-carboxylate, ethyl 6-bromo-5-[2-(4-methoxyphenyl)-2-oxoethoxy]-2-methylbenzo[b]furan-3-carb oxylate
| Molecular Formula | C21H19BrO6 |
|---|---|
| Molecular Weight | 446.04 g/mol |
| LogP | 4.95072 |
| Topological Polar Surface Area | 74.97 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 446.0365 |
| Heavy Atoms | 28 |
| Complexity | 1019.547 |
Chemical Identifiers
| CAS Number | 308295-68-3 |
|---|---|
| SMILES | CCOC(=O)C1=C(OC2=CC(=C(C=C21)OCC(=O)C3=CC=C(C=C3)OC)Br)C |
Product Overview
ChemDiv1_006028 (CAS 308295-68-3), with molecular formula C21H19BrO6 and molecular weight 446.04 g/mol. IUPAC: ethyl 6-bromo-5-[2-(4-methoxyphenyl)-2-oxoethoxy]-2-methyl-1-benzofuran-3-carboxylate.
Chemical Property Profile of ChemDiv1_006028
Property Insights of ChemDiv1_006028
The XLogP value of 4.95072 indicates that ChemDiv1_006028 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 74.97 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_006028. Following Lipinski's Rule of Five, ChemDiv1_006028 has 0 hydrogen bond donor(s) and 6 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 ChemDiv1_006028?
The CAS number of ChemDiv1_006028 is 308295-68-3.
What is the molecular formula of ChemDiv1_006028?
The molecular formula of ChemDiv1_006028 is C21H19BrO6.
What is the molecular weight of ChemDiv1_006028?
The molecular weight of ChemDiv1_006028 is 446.04 g/mol.
Where can I buy ChemDiv1_006028?
You can request a quote for ChemDiv1_006028 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_006028?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_006028 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.