RefChem:565423
TL;DR: RefChem:565423 (CAS 82168-34-1) is a chemical compound with molecular formula C21H19ClO6 and molecular weight 402.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(2-prop-2-enoyloxyethoxy)ethyl 2-(4-chlorobenzoyl)benzoate
Also Known As: 2-[2-[oxy]ethoxy]ethyl2- benzoate, 2-[2-[ oxy]ethoxy]ethyl2- benzoate, 2-[2-[(1-oxo-2-propenyl)oxy]ethoxy]ethyl 2-(4-chlorobenzoyl)benzoate, 2-(2-((1-Oxo-2-propenyl)oxy)ethoxy)ethyl 2-(4-chlorobenzoyl)benzoate, 2-(2-prop-2-enoyloxyethoxy)ethyl 2-(4-chlorobenzoyl)benzoate
| Molecular Formula | C21H19ClO6 |
|---|---|
| Molecular Weight | 402.09 g/mol |
| LogP | 4.1 |
| Topological Polar Surface Area | 78.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 12 |
| Exact Mass | 402.087 |
| Heavy Atoms | 28 |
| Complexity | 541.0 |
Chemical Identifiers
| CAS Number | 82168-34-1 |
|---|---|
| SMILES | C=CC(=O)OCCOCCOC(=O)C1=CC=CC=C1C(=O)C2=CC=C(C=C2)Cl |
| InChIKey | KBWZQMFOIHPJGO-UHFFFAOYSA-N |
Product Overview
RefChem:565423 (CAS 82168-34-1), with molecular formula C21H19ClO6 and molecular weight 402.09 g/mol. IUPAC: 2-(2-prop-2-enoyloxyethoxy)ethyl 2-(4-chlorobenzoyl)benzoate.
Chemical Property Profile of RefChem:565423
Property Insights of RefChem:565423
The XLogP value of 4.1 indicates that RefChem:565423 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 78.9 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:565423. Following Lipinski's Rule of Five, RefChem:565423 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 RefChem:565423?
The CAS number of RefChem:565423 is 82168-34-1.
What is the molecular formula of RefChem:565423?
The molecular formula of RefChem:565423 is C21H19ClO6.
What is the molecular weight of RefChem:565423?
The molecular weight of RefChem:565423 is 402.09 g/mol.
Where can I buy RefChem:565423?
You can request a quote for RefChem:565423 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:565423?
Yes, KEHONG BIO provides custom synthesis services for RefChem:565423 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.