ChemDiv1_006469
TL;DR: ChemDiv1_006469 (CAS 315237-27-5) 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-(1-methoxy-1-oxopropan-2-yl)oxy-2-phenyl-1-benzofuran-3-carboxylate
Also Known As: ChemDiv1_006469, BIM-0002488.P001, ethyl 6-bromo-5-[(1-methoxy-1-oxopropan-2-yl)oxy]-2-phenyl-1-benzofuran-3-carboxylate, F0821-0420, ethyl 6-bromo-5-((1-methoxy-1-oxopropan-2-yl)oxy)-2-phenylbenzofuran-3-carboxylate
| Molecular Formula | C21H19BrO6 |
|---|---|
| Molecular Weight | 446.04 g/mol |
| LogP | 4.9793 |
| Topological Polar Surface Area | 74.97 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 446.0365 |
| Heavy Atoms | 28 |
| Complexity | 1008.6578 |
Chemical Identifiers
| CAS Number | 315237-27-5 |
|---|---|
| SMILES | CCOC(=O)C1=C(OC2=CC(=C(C=C21)OC(C)C(=O)OC)Br)C3=CC=CC=C3 |
Product Overview
ChemDiv1_006469 (CAS 315237-27-5), with molecular formula C21H19BrO6 and molecular weight 446.04 g/mol. IUPAC: ethyl 6-bromo-5-(1-methoxy-1-oxopropan-2-yl)oxy-2-phenyl-1-benzofuran-3-carboxylate.
Chemical Property Profile of ChemDiv1_006469
Property Insights of ChemDiv1_006469
The XLogP value of 4.9793 indicates that ChemDiv1_006469 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_006469. Following Lipinski's Rule of Five, ChemDiv1_006469 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_006469?
The CAS number of ChemDiv1_006469 is 315237-27-5.
What is the molecular formula of ChemDiv1_006469?
The molecular formula of ChemDiv1_006469 is C21H19BrO6.
What is the molecular weight of ChemDiv1_006469?
The molecular weight of ChemDiv1_006469 is 446.04 g/mol.
Where can I buy ChemDiv1_006469?
You can request a quote for ChemDiv1_006469 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_006469?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_006469 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.