ChemDiv1_005662
TL;DR: ChemDiv1_005662 (CAS 303121-68-8) is a chemical compound with molecular formula C22H20BrF3N2O4 and molecular weight 512.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(2-bromophenoxy)-7-hydroxy-8-[(4-methylpiperazin-1-yl)methyl]-2-(trifluoromethyl)chromen-4-one
Also Known As: ChemDiv1_005662, 3-(2-bromophenoxy)-7-hydroxy-8-[(4-methylpiperazin-1-yl)methyl]-2-(trifluoromethyl)-4H-chromen-4-one, 3-(2-bromophenoxy)-7-hydroxy-8-[(4-methylpiperazin-1-yl)methyl]-2-(trifluoromethyl)chromen-4-one, 3-(2-bromophenoxy)-7-hydroxy-8-((4-methylpiperazin-1-yl)methyl)-2-(trifluoromethyl)-4H-chromen-4-one, 3-(2-bromophenoxy)-7-hydroxy-8-[(4-methylpiperazinyl)methyl]-2-(trifluoromethy l)chromen-4-one
| Molecular Formula | C22H20BrF3N2O4 |
|---|---|
| Molecular Weight | 512.06 g/mol |
| LogP | 4.8196 |
| Topological Polar Surface Area | 66.15 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 512.05585 |
| Heavy Atoms | 32 |
| Complexity | 1204.2258 |
Chemical Identifiers
| CAS Number | 303121-68-8 |
|---|---|
| SMILES | CN1CCN(CC1)CC2=C(C=CC3=C2OC(=C(C3=O)OC4=CC=CC=C4Br)C(F)(F)F)O |
Product Overview
ChemDiv1_005662 (CAS 303121-68-8), with molecular formula C22H20BrF3N2O4 and molecular weight 512.06 g/mol. IUPAC: 3-(2-bromophenoxy)-7-hydroxy-8-[(4-methylpiperazin-1-yl)methyl]-2-(trifluoromethyl)chromen-4-one.
Chemical Property Profile of ChemDiv1_005662
Property Insights of ChemDiv1_005662
The XLogP value of 4.8196 indicates that ChemDiv1_005662 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 66.15 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_005662. Following Lipinski's Rule of Five, ChemDiv1_005662 has 1 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_005662?
The CAS number of ChemDiv1_005662 is 303121-68-8.
What is the molecular formula of ChemDiv1_005662?
The molecular formula of ChemDiv1_005662 is C22H20BrF3N2O4.
What is the molecular weight of ChemDiv1_005662?
The molecular weight of ChemDiv1_005662 is 512.06 g/mol.
Where can I buy ChemDiv1_005662?
You can request a quote for ChemDiv1_005662 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_005662?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_005662 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.