ChemDiv1_028754
TL;DR: ChemDiv1_028754 (CAS 308299-72-1) is a chemical compound with molecular formula C22H13F3O6S and molecular weight 462.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[3-(4-methoxyphenoxy)-4-oxo-2-(trifluoromethyl)chromen-7-yl] thiophene-2-carboxylate
Also Known As: ChemDiv1_028754, 3-(4-methoxyphenoxy)-4-oxo-2-(trifluoromethyl)-4H-chromen-7-yl thiophene-2-carboxylate, AE-641/15086252, F0916-2632, [3-(4-methoxyphenoxy)-4-oxo-2-(trifluoromethyl)chromen-7-yl] thiophene-2-carboxylate
| Molecular Formula | C22H13F3O6S |
|---|---|
| Molecular Weight | 462.04 g/mol |
| LogP | 5.8934 |
| Topological Polar Surface Area | 74.97 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 462.03848 |
| Heavy Atoms | 32 |
| Complexity | 1325.0328 |
Chemical Identifiers
| CAS Number | 308299-72-1 |
|---|---|
| SMILES | COC1=CC=C(C=C1)OC2=C(OC3=C(C2=O)C=CC(=C3)OC(=O)C4=CC=CS4)C(F)(F)F |
Product Overview
ChemDiv1_028754 (CAS 308299-72-1), with molecular formula C22H13F3O6S and molecular weight 462.04 g/mol. IUPAC: [3-(4-methoxyphenoxy)-4-oxo-2-(trifluoromethyl)chromen-7-yl] thiophene-2-carboxylate.
Chemical Property Profile of ChemDiv1_028754
Property Insights of ChemDiv1_028754
The XLogP value of 5.8934 indicates that ChemDiv1_028754 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 ChemDiv1_028754. Following Lipinski's Rule of Five, ChemDiv1_028754 has 0 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ChemDiv1_028754?
The CAS number of ChemDiv1_028754 is 308299-72-1.
What is the molecular formula of ChemDiv1_028754?
The molecular formula of ChemDiv1_028754 is C22H13F3O6S.
What is the molecular weight of ChemDiv1_028754?
The molecular weight of ChemDiv1_028754 is 462.04 g/mol.
Where can I buy ChemDiv1_028754?
You can request a quote for ChemDiv1_028754 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_028754?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_028754 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.