C22H20BrClO5
TL;DR: C22H20BrClO5 (CAS 708236-69-5) is a chemical compound with molecular formula C22H20BrClO5 and molecular weight 478.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 3-[7-[(2-bromophenyl)methoxy]-6-chloro-4-methyl-2-oxochromen-3-yl]propanoate
Also Known As: ethyl 3-{7-[(2-bromobenzyl)oxy]-6-chloro-4-methyl-2-oxo-2H-chromen-3-yl}propanoate, Ethyl 7-[(2-bromophenyl)methoxy]-6-chloro-4-methyl-2-oxo-2H-1-benzopyran-3-propanoate, ethyl 3-[7-[(2-bromophenyl)methoxy]-6-chloro-4-methyl-2-oxochromen-3-yl]propanoate, ethyl 3-(7-((2-bromobenzyl)oxy)-6-chloro-4-methyl-2-oxo-2H-chromen-3-yl)propanoate, Ethyl 3-[7-[(2-bromophenyl)methoxy]-6-chloro-4-methyl-2-oxo-chromen-3-yl]propanoate
| Molecular Formula | C22H20BrClO5 |
|---|---|
| Molecular Weight | 478.02 g/mol |
| LogP | 5.59202 |
| Topological Polar Surface Area | 65.74 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 478.01825 |
| Heavy Atoms | 29 |
| Complexity | 1106.2883 |
Chemical Identifiers
| CAS Number | 708236-69-5 |
|---|---|
| SMILES | CCOC(=O)CCC1=C(C2=CC(=C(C=C2OC1=O)OCC3=CC=CC=C3Br)Cl)C |
Product Overview
C22H20BrClO5 (CAS 708236-69-5), with molecular formula C22H20BrClO5 and molecular weight 478.02 g/mol. IUPAC: ethyl 3-[7-[(2-bromophenyl)methoxy]-6-chloro-4-methyl-2-oxochromen-3-yl]propanoate.
Chemical Property Profile of C22H20BrClO5
Property Insights of C22H20BrClO5
The XLogP value of 5.59202 indicates that C22H20BrClO5 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 65.74 Ų falls within the moderate polarity range, balancing permeability and solubility for C22H20BrClO5. Following Lipinski's Rule of Five, C22H20BrClO5 has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of C22H20BrClO5?
The CAS number of C22H20BrClO5 is 708236-69-5.
What is the molecular formula of C22H20BrClO5?
The molecular formula of C22H20BrClO5 is C22H20BrClO5.
What is the molecular weight of C22H20BrClO5?
The molecular weight of C22H20BrClO5 is 478.02 g/mol.
Where can I buy C22H20BrClO5?
You can request a quote for C22H20BrClO5 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C22H20BrClO5?
Yes, KEHONG BIO provides custom synthesis services for C22H20BrClO5 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.