ChemDiv1_004509
TL;DR: ChemDiv1_004509 (CAS 303119-47-3) is a chemical compound with molecular formula C23H23F3N2O4 and molecular weight 448.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-hydroxy-3-(2-methoxyphenyl)-8-[(4-methylpiperazin-1-yl)methyl]-2-(trifluoromethyl)chromen-4-one
Also Known As: ChemDiv1_004509, BAS 01911525, 7-hydroxy-3-(2-methoxyphenyl)-8-((4-methylpiperazin-1-yl)methyl)-2-(trifluoromethyl)-4H-chromen-4-one, F3139-2780, AE-641/14179071
| Molecular Formula | C23H23F3N2O4 |
|---|---|
| Molecular Weight | 448.16 g/mol |
| LogP | 3.9404 |
| Topological Polar Surface Area | 66.15 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 448.16098 |
| Heavy Atoms | 32 |
| Complexity | 1198.2914 |
Chemical Identifiers
| CAS Number | 303119-47-3 |
|---|---|
| SMILES | CN1CCN(CC1)CC2=C(C=CC3=C2OC(=C(C3=O)C4=CC=CC=C4OC)C(F)(F)F)O |
Product Overview
ChemDiv1_004509 (CAS 303119-47-3), with molecular formula C23H23F3N2O4 and molecular weight 448.16 g/mol. IUPAC: 7-hydroxy-3-(2-methoxyphenyl)-8-[(4-methylpiperazin-1-yl)methyl]-2-(trifluoromethyl)chromen-4-one.
Chemical Property Profile of ChemDiv1_004509
Property Insights of ChemDiv1_004509
The XLogP value of 3.9404 indicates that ChemDiv1_004509 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_004509. Following Lipinski's Rule of Five, ChemDiv1_004509 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_004509?
The CAS number of ChemDiv1_004509 is 303119-47-3.
What is the molecular formula of ChemDiv1_004509?
The molecular formula of ChemDiv1_004509 is C23H23F3N2O4.
What is the molecular weight of ChemDiv1_004509?
The molecular weight of ChemDiv1_004509 is 448.16 g/mol.
Where can I buy ChemDiv1_004509?
You can request a quote for ChemDiv1_004509 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_004509?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_004509 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.