ChemDiv1_006641
TL;DR: ChemDiv1_006641 (CAS 307535-08-6) is a chemical compound with molecular formula C24H25F3N2O5 and molecular weight 478.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(3,4-dimethoxyphenyl)-7-hydroxy-8-[(4-methylpiperazin-1-yl)methyl]-2-(trifluoromethyl)chromen-4-one
Also Known As: ChemDiv1_006641, AF-399/15030311, 3-(3,4-dimethoxyphenyl)-7-hydroxy-8-[(4-methylpiperazin-1-yl)methyl]-2-(trifluoromethyl)-4H-chromen-4-one, 3-(3,4-dimethoxyphenyl)-7-hydroxy-8-((4-methylpiperazin-1-yl)methyl)-2-(trifluoromethyl)-4H-chromen-4-one, 3-(3,4-dimethoxyphenyl)-7-hydroxy-8-[(4-methyl-1-piperazinyl)methyl]-2-(trifluoromethyl)-4H-chromen-4-one
| Molecular Formula | C24H25F3N2O5 |
|---|---|
| Molecular Weight | 478.17 g/mol |
| LogP | 3.949 |
| Topological Polar Surface Area | 75.38 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 478.17157 |
| Heavy Atoms | 34 |
| Complexity | 1264.1688 |
Chemical Identifiers
| CAS Number | 307535-08-6 |
|---|---|
| SMILES | CN1CCN(CC1)CC2=C(C=CC3=C2OC(=C(C3=O)C4=CC(=C(C=C4)OC)OC)C(F)(F)F)O |
Product Overview
ChemDiv1_006641 (CAS 307535-08-6), with molecular formula C24H25F3N2O5 and molecular weight 478.17 g/mol. IUPAC: 3-(3,4-dimethoxyphenyl)-7-hydroxy-8-[(4-methylpiperazin-1-yl)methyl]-2-(trifluoromethyl)chromen-4-one.
Chemical Property Profile of ChemDiv1_006641
Property Insights of ChemDiv1_006641
The XLogP value of 3.949 indicates that ChemDiv1_006641 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 75.38 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_006641. Following Lipinski's Rule of Five, ChemDiv1_006641 has 1 hydrogen bond donor(s) and 7 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_006641?
The CAS number of ChemDiv1_006641 is 307535-08-6.
What is the molecular formula of ChemDiv1_006641?
The molecular formula of ChemDiv1_006641 is C24H25F3N2O5.
What is the molecular weight of ChemDiv1_006641?
The molecular weight of ChemDiv1_006641 is 478.17 g/mol.
Where can I buy ChemDiv1_006641?
You can request a quote for ChemDiv1_006641 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_006641?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_006641 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.