ChemDiv1_028792
TL;DR: ChemDiv1_028792 (CAS 303121-69-9) is a chemical compound with molecular formula C21H17BrF3NO4 and molecular weight 483.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(2-bromophenoxy)-7-hydroxy-8-(pyrrolidin-1-ylmethyl)-2-(trifluoromethyl)chromen-4-one
Also Known As: ChemDiv1_028792, AP-906/14617067, 3-(2-bromophenoxy)-7-hydroxy-8-(1-pyrrolidinylmethyl)-2-(trifluoromethyl)-4H-chromen-4-one, 3-(2-bromophenoxy)-7-hydroxy-8-(pyrrolidin-1-ylmethyl)-2-(trifluoromethyl)chromen-4-one, 3-(2-bromophenoxy)-7-hydroxy-8-(pyrrolidinylmethyl)-2-(trifluoromethyl)chromen -4-one
| Molecular Formula | C21H17BrF3NO4 |
|---|---|
| Molecular Weight | 483.03 g/mol |
| LogP | 5.668 |
| Topological Polar Surface Area | 62.91 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 483.0293 |
| Heavy Atoms | 30 |
| Complexity | 1153.4222 |
Chemical Identifiers
| CAS Number | 303121-69-9 |
|---|---|
| SMILES | C1CCN(C1)CC2=C(C=CC3=C2OC(=C(C3=O)OC4=CC=CC=C4Br)C(F)(F)F)O |
Product Overview
ChemDiv1_028792 (CAS 303121-69-9), with molecular formula C21H17BrF3NO4 and molecular weight 483.03 g/mol. IUPAC: 3-(2-bromophenoxy)-7-hydroxy-8-(pyrrolidin-1-ylmethyl)-2-(trifluoromethyl)chromen-4-one.
Chemical Property Profile of ChemDiv1_028792
Property Insights of ChemDiv1_028792
The XLogP value of 5.668 indicates that ChemDiv1_028792 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 62.91 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_028792. Following Lipinski's Rule of Five, ChemDiv1_028792 has 1 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 ChemDiv1_028792?
The CAS number of ChemDiv1_028792 is 303121-69-9.
What is the molecular formula of ChemDiv1_028792?
The molecular formula of ChemDiv1_028792 is C21H17BrF3NO4.
What is the molecular weight of ChemDiv1_028792?
The molecular weight of ChemDiv1_028792 is 483.03 g/mol.
Where can I buy ChemDiv1_028792?
You can request a quote for ChemDiv1_028792 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_028792?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_028792 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.