C23H13F3O4S
TL;DR: C23H13F3O4S (CAS 325765-84-2) is a chemical compound with molecular formula C23H13F3O4S and molecular weight 442.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-oxo-7-[3-(trifluoromethyl)phenyl]-1,3-benzoxathiol-5-yl] (E)-3-phenylprop-2-enoate
Also Known As: 2-oxo-7-(3-(trifluoromethyl)phenyl)benzo[d][1,3]oxathiol-5-yl cinnamate, [2-oxo-7-[3-(trifluoromethyl)phenyl]-1,3-benzoxathiol-5-yl] (E)-3-phenylprop-2-enoate, 2-oxo-7-[3-(trifluoromethyl)phenyl]-1,3-benzoxathiol-5-yl (2E)-3-phenylprop-2-enoate, 2-oxo-7-[3-(trifluoromethyl)phenyl]benzo[3,4-d]1,3-oxathiolan-5-yl (2E)-3-phen ylprop-2-enoate
| Molecular Formula | C23H13F3O4S |
|---|---|
| Molecular Weight | 442.05 g/mol |
| LogP | 6.1591 |
| Topological Polar Surface Area | 56.51 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 442.04868 |
| Heavy Atoms | 31 |
| Complexity | 1334.4431 |
Chemical Identifiers
| CAS Number | 325765-84-2 |
|---|---|
| SMILES | C1=CC=C(C=C1)/C=C/C(=O)OC2=CC(=C3C(=C2)SC(=O)O3)C4=CC(=CC=C4)C(F)(F)F |
Product Overview
C23H13F3O4S (CAS 325765-84-2), with molecular formula C23H13F3O4S and molecular weight 442.05 g/mol. IUPAC: [2-oxo-7-[3-(trifluoromethyl)phenyl]-1,3-benzoxathiol-5-yl] (E)-3-phenylprop-2-enoate.
Chemical Property Profile of C23H13F3O4S
Property Insights of C23H13F3O4S
The XLogP value of 6.1591 indicates that C23H13F3O4S is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 56.51 Ų, C23H13F3O4S exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, C23H13F3O4S has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of C23H13F3O4S?
The CAS number of C23H13F3O4S is 325765-84-2.
What is the molecular formula of C23H13F3O4S?
The molecular formula of C23H13F3O4S is C23H13F3O4S.
What is the molecular weight of C23H13F3O4S?
The molecular weight of C23H13F3O4S is 442.05 g/mol.
Where can I buy C23H13F3O4S?
You can request a quote for C23H13F3O4S directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C23H13F3O4S?
Yes, KEHONG BIO provides custom synthesis services for C23H13F3O4S and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.