BAS 02785452
TL;DR: BAS 02785452 (CAS 307534-96-9) is a chemical compound with molecular formula C21H20F3NO5 and molecular weight 423.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(3,4-dimethoxyphenyl)-8-[(dimethylamino)methyl]-7-hydroxy-2-(trifluoromethyl)chromen-4-one
Also Known As: BAS 02785452, 3-(3,4-dimethoxyphenyl)-8-[(dimethylamino)methyl]-7-hydroxy-2-(trifluoromethyl)-4H-chromen-4-one, 3-(3,4-dimethoxyphenyl)-8-(dimethylaminomethyl)-7-hydroxy-2-(trifluoromethyl)chromen-4-one, 3-(3,4-dimethoxyphenyl)-8-((dimethylamino)methyl)-7-hydroxy-2-(trifluoromethyl)-4H-chromen-4-one, 3-(3,4-dimethoxyphenyl)-8-[(dimethylamino)methyl]-7-hydroxy-2-(trifluoromethyl )chromen-4-one
| Molecular Formula | C21H20F3NO5 |
|---|---|
| Molecular Weight | 423.13 g/mol |
| LogP | 4.2632 |
| Topological Polar Surface Area | 72.14 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 423.12936 |
| Heavy Atoms | 30 |
| Complexity | 1152.0577 |
Chemical Identifiers
| CAS Number | 307534-96-9 |
|---|---|
| SMILES | CN(C)CC1=C(C=CC2=C1OC(=C(C2=O)C3=CC(=C(C=C3)OC)OC)C(F)(F)F)O |
Product Overview
BAS 02785452 (CAS 307534-96-9), with molecular formula C21H20F3NO5 and molecular weight 423.13 g/mol. IUPAC: 3-(3,4-dimethoxyphenyl)-8-[(dimethylamino)methyl]-7-hydroxy-2-(trifluoromethyl)chromen-4-one.
Chemical Property Profile of BAS 02785452
Property Insights of BAS 02785452
The XLogP value of 4.2632 indicates that BAS 02785452 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 BAS 02785452. Following Lipinski's Rule of Five, BAS 02785452 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 BAS 02785452?
The CAS number of BAS 02785452 is 307534-96-9.
What is the molecular formula of BAS 02785452?
The molecular formula of BAS 02785452 is C21H20F3NO5.
What is the molecular weight of BAS 02785452?
The molecular weight of BAS 02785452 is 423.13 g/mol.
Where can I buy BAS 02785452?
You can request a quote for BAS 02785452 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 02785452?
Yes, KEHONG BIO provides custom synthesis services for BAS 02785452 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.