ChemDiv1_005968
TL;DR: ChemDiv1_005968 (CAS 303121-67-7) is a chemical compound with molecular formula C21H17BrF3NO5 and molecular weight 499.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(2-bromophenoxy)-7-hydroxy-8-(morpholin-4-ylmethyl)-2-(trifluoromethyl)chromen-4-one
Also Known As: ChemDiv1_005968, BIM-0047034.P001, 3-(2-bromophenoxy)-7-hydroxy-8-(4-morpholinylmethyl)-2-(trifluoromethyl)-4H-chromen-4-one, AP-906/14617058, 3-(2-bromophenoxy)-7-hydroxy-8-(morpholin-4-ylmethyl)-2-(trifluoromethyl)chromen-4-one
| Molecular Formula | C21H17BrF3NO5 |
|---|---|
| Molecular Weight | 499.02 g/mol |
| LogP | 4.9044 |
| Topological Polar Surface Area | 72.14 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 499.02423 |
| Heavy Atoms | 31 |
| Complexity | 1172.1145 |
Chemical Identifiers
| CAS Number | 303121-67-7 |
|---|---|
| SMILES | C1COCCN1CC2=C(C=CC3=C2OC(=C(C3=O)OC4=CC=CC=C4Br)C(F)(F)F)O |
Product Overview
ChemDiv1_005968 (CAS 303121-67-7), with molecular formula C21H17BrF3NO5 and molecular weight 499.02 g/mol. IUPAC: 3-(2-bromophenoxy)-7-hydroxy-8-(morpholin-4-ylmethyl)-2-(trifluoromethyl)chromen-4-one.
Chemical Property Profile of ChemDiv1_005968
Property Insights of ChemDiv1_005968
The XLogP value of 4.9044 indicates that ChemDiv1_005968 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 72.14 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_005968. Following Lipinski's Rule of Five, ChemDiv1_005968 has 1 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 ChemDiv1_005968?
The CAS number of ChemDiv1_005968 is 303121-67-7.
What is the molecular formula of ChemDiv1_005968?
The molecular formula of ChemDiv1_005968 is C21H17BrF3NO5.
What is the molecular weight of ChemDiv1_005968?
The molecular weight of ChemDiv1_005968 is 499.02 g/mol.
Where can I buy ChemDiv1_005968?
You can request a quote for ChemDiv1_005968 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_005968?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_005968 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.