C21H16BrClO6
TL;DR: C21H16BrClO6 (CAS 701939-45-9) is a chemical compound with molecular formula C21H16BrClO6 and molecular weight 477.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[7-[2-(4-bromophenyl)-2-oxoethoxy]-6-chloro-4-methyl-2-oxochromen-3-yl]acetate
Also Known As: EiM07-15752, methyl {7-[2-(4-bromophenyl)-2-oxoethoxy]-6-chloro-4-methyl-2-oxo-2H-chromen-3-yl}acetate, methyl 2-[7-[2-(4-bromophenyl)-2-oxoethoxy]-6-chloro-4-methyl-2-oxochromen-3-yl]acetate, methyl 2-(7-(2-(4-bromophenyl)-2-oxoethoxy)-6-chloro-4-methyl-2-oxo-2H-chromen-3-yl)acetate
| Molecular Formula | C21H16BrClO6 |
|---|---|
| Molecular Weight | 477.98 g/mol |
| LogP | 4.49452 |
| Topological Polar Surface Area | 82.81 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 477.98187 |
| Heavy Atoms | 29 |
| Complexity | 1150.5304 |
Chemical Identifiers
| CAS Number | 701939-45-9 |
|---|---|
| SMILES | CC1=C(C(=O)OC2=CC(=C(C=C12)Cl)OCC(=O)C3=CC=C(C=C3)Br)CC(=O)OC |
Product Overview
C21H16BrClO6 (CAS 701939-45-9), with molecular formula C21H16BrClO6 and molecular weight 477.98 g/mol. IUPAC: methyl 2-[7-[2-(4-bromophenyl)-2-oxoethoxy]-6-chloro-4-methyl-2-oxochromen-3-yl]acetate.
Chemical Property Profile of C21H16BrClO6
Property Insights of C21H16BrClO6
The XLogP value of 4.49452 indicates that C21H16BrClO6 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 C21H16BrClO6. Following Lipinski's Rule of Five, C21H16BrClO6 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 C21H16BrClO6?
The CAS number of C21H16BrClO6 is 701939-45-9.
What is the molecular formula of C21H16BrClO6?
The molecular formula of C21H16BrClO6 is C21H16BrClO6.
What is the molecular weight of C21H16BrClO6?
The molecular weight of C21H16BrClO6 is 477.98 g/mol.
Where can I buy C21H16BrClO6?
You can request a quote for C21H16BrClO6 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C21H16BrClO6?
Yes, KEHONG BIO provides custom synthesis services for C21H16BrClO6 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.