VU0616830-1
TL;DR: VU0616830-1 (CAS 846580-47-0) is a chemical compound with molecular formula C23H21F3O6 and molecular weight 450.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
tert-butyl 2-[3-(4-methoxyphenyl)-4-oxo-2-(trifluoromethyl)chromen-7-yl]oxyacetate
Also Known As: VU0616830-1, F3385-1331, Tert-butyl 2-[3-(4-methoxyphenyl)-4-oxo-2-(trifluoromethyl)chromen-7-yl]oxyacetate, tert-butyl {[3-(4-methoxyphenyl)-4-oxo-2-(trifluoromethyl)-4H-chromen-7-yl]oxy}acetate, tert-butyl 2-((3-(4-methoxyphenyl)-4-oxo-2-(trifluoromethyl)-4H-chromen-7-yl)oxy)acetate
| Molecular Formula | C23H21F3O6 |
|---|---|
| Molecular Weight | 450.13 g/mol |
| LogP | 5.2079 |
| Topological Polar Surface Area | 74.97 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 450.12903 |
| Heavy Atoms | 32 |
| Complexity | 1187.798 |
Chemical Identifiers
| CAS Number | 846580-47-0 |
|---|---|
| SMILES | CC(C)(C)OC(=O)COC1=CC2=C(C=C1)C(=O)C(=C(O2)C(F)(F)F)C3=CC=C(C=C3)OC |
Product Overview
VU0616830-1 (CAS 846580-47-0), with molecular formula C23H21F3O6 and molecular weight 450.13 g/mol. IUPAC: tert-butyl 2-[3-(4-methoxyphenyl)-4-oxo-2-(trifluoromethyl)chromen-7-yl]oxyacetate.
Chemical Property Profile of VU0616830-1
Property Insights of VU0616830-1
The XLogP value of 5.2079 indicates that VU0616830-1 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 74.97 Ų falls within the moderate polarity range, balancing permeability and solubility for VU0616830-1. Following Lipinski's Rule of Five, VU0616830-1 has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of VU0616830-1?
The CAS number of VU0616830-1 is 846580-47-0.
What is the molecular formula of VU0616830-1?
The molecular formula of VU0616830-1 is C23H21F3O6.
What is the molecular weight of VU0616830-1?
The molecular weight of VU0616830-1 is 450.13 g/mol.
Where can I buy VU0616830-1?
You can request a quote for VU0616830-1 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for VU0616830-1?
Yes, KEHONG BIO provides custom synthesis services for VU0616830-1 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.