ChemDiv1_000600
TL;DR: ChemDiv1_000600 (CAS 324538-94-5) is a chemical compound with molecular formula C20H13BrCl2O6 and molecular weight 497.93 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-bromo-5-(3,5-dichlorobenzoyl)oxy-2-formyl-7-methyl-1-benzofuran-3-carboxylate
Also Known As: ChemDiv1_000600, ethyl 4-bromo-5-(3,5-dichlorobenzoyl)oxy-2-formyl-7-methyl-1-benzofuran-3-carboxylate, ETHYL 4-BROMO-5-(3,5-DICHLOROBENZOYLOXY)-2-FORMYL-7-METHYL-1-BENZOFURAN-3-CARBOXYLATE, ethyl 4-bromo-5-[(3,5-dichlorobenzoyl)oxy]-2-formyl-7-methyl-1-benzofuran-3-carboxylate
| Molecular Formula | C20H13BrCl2O6 |
|---|---|
| Molecular Weight | 497.93 g/mol |
| LogP | 6.01892 |
| Topological Polar Surface Area | 82.81 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 497.92725 |
| Heavy Atoms | 29 |
| Complexity | 1131.5643 |
Chemical Identifiers
| CAS Number | 324538-94-5 |
|---|---|
| SMILES | CCOC(=O)C1=C(OC2=C1C(=C(C=C2C)OC(=O)C3=CC(=CC(=C3)Cl)Cl)Br)C=O |
Product Overview
ChemDiv1_000600 (CAS 324538-94-5), with molecular formula C20H13BrCl2O6 and molecular weight 497.93 g/mol. IUPAC: ethyl 4-bromo-5-(3,5-dichlorobenzoyl)oxy-2-formyl-7-methyl-1-benzofuran-3-carboxylate.
Chemical Property Profile of ChemDiv1_000600
Property Insights of ChemDiv1_000600
The XLogP value of 6.01892 indicates that ChemDiv1_000600 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 82.81 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_000600. Following Lipinski's Rule of Five, ChemDiv1_000600 has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ChemDiv1_000600?
The CAS number of ChemDiv1_000600 is 324538-94-5.
What is the molecular formula of ChemDiv1_000600?
The molecular formula of ChemDiv1_000600 is C20H13BrCl2O6.
What is the molecular weight of ChemDiv1_000600?
The molecular weight of ChemDiv1_000600 is 497.93 g/mol.
Where can I buy ChemDiv1_000600?
You can request a quote for ChemDiv1_000600 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_000600?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_000600 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.