T0502-2069
TL;DR: T0502-2069 (CAS 6538-83-6) is a chemical compound with molecular formula C31H16BrF3O8S and molecular weight 683.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[3-(4-bromophenoxy)-8-methyl-4-oxo-2-(trifluoromethyl)chromen-7-yl] 9,10,10-trioxothioxanthene-3-carboxylate
Also Known As: T0502-2069, [3-(4-bromophenoxy)-8-methyl-4-oxo-2-(trifluoromethyl)chromen-7-yl] 9,10,10-trioxothioxanthene-3-carboxylate, 3-(4-Bromophenoxy)-8-methyl-4-oxo-2-(trifluoromethyl)-4H-1-benzopyran-7-yl 9,10,10-trioxo-9,10-dihydro-10lambda~6~-thioxanthene-3-carboxylate
| Molecular Formula | C31H16BrF3O8S |
|---|---|
| Molecular Weight | 683.97 g/mol |
| LogP | 7.27142 |
| Topological Polar Surface Area | 116.95 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 4 |
| Exact Mass | 683.97015 |
| Heavy Atoms | 44 |
| Complexity | 2205.2688 |
Chemical Identifiers
| CAS Number | 6538-83-6 |
|---|---|
| SMILES | CC1=C(C=CC2=C1OC(=C(C2=O)OC3=CC=C(C=C3)Br)C(F)(F)F)OC(=O)C4=CC5=C(C=C4)C(=O)C6=CC=CC=C6S5(=O)=O |
Product Overview
T0502-2069 (CAS 6538-83-6), with molecular formula C31H16BrF3O8S and molecular weight 683.97 g/mol. IUPAC: [3-(4-bromophenoxy)-8-methyl-4-oxo-2-(trifluoromethyl)chromen-7-yl] 9,10,10-trioxothioxanthene-3-carboxylate.
Chemical Property Profile of T0502-2069
Property Insights of T0502-2069
The XLogP value of 7.27142 indicates that T0502-2069 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 116.95 Ų falls within the moderate polarity range, balancing permeability and solubility for T0502-2069. Following Lipinski's Rule of Five, T0502-2069 has 0 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of T0502-2069?
The CAS number of T0502-2069 is 6538-83-6.
What is the molecular formula of T0502-2069?
The molecular formula of T0502-2069 is C31H16BrF3O8S.
What is the molecular weight of T0502-2069?
The molecular weight of T0502-2069 is 683.97 g/mol.
Where can I buy T0502-2069?
You can request a quote for T0502-2069 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for T0502-2069?
Yes, KEHONG BIO provides custom synthesis services for T0502-2069 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.