![(Z)-methyl 3,3,3-trifluoro-2-(5-methylbenzo[d][1,3]oxathiol-2-ylidene)propanoate structure](/static/products/352/352318-87-7.png)
(Z)-methyl 3,3,3-trifluoro-2-(5-methylbenzo[d][1,3]oxathiol-2-ylidene)propanoate
TL;DR: (Z)-methyl 3,3,3-trifluoro-2-(5-methylbenzo[d][1,3]oxathiol-2-ylidene)propanoate (CAS 352318-87-7) is a chemical compound with molecular formula C12H9F3O3S and molecular weight 290.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl (2Z)-3,3,3-trifluoro-2-(5-methyl-1,3-benzoxathiol-2-ylidene)propanoate
Also Known As: (Z)-methyl 3,3,3-trifluoro-2-(5-methylbenzo[d][1,3]oxathiol-2-ylidene)propanoate, methyl (2Z)-3,3,3-trifluoro-2-(5-methyl-1,3-benzoxathiol-2-ylidene)propanoate
| Molecular Formula | C12H9F3O3S |
|---|---|
| Molecular Weight | 290.02 g/mol |
| LogP | 3.42642 |
| Topological Polar Surface Area | 35.53 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 290.02246 |
| Heavy Atoms | 19 |
| Complexity | 563.8283 |
Chemical Identifiers
| CAS Number | 352318-87-7 |
|---|---|
| SMILES | CC1=CC2=C(C=C1)O/C(=C(\C(=O)OC)/C(F)(F)F)/S2 |
Product Overview
(Z)-methyl 3,3,3-trifluoro-2-(5-methylbenzo[d][1,3]oxathiol-2-ylidene)propanoate (CAS 352318-87-7), with molecular formula C12H9F3O3S and molecular weight 290.02 g/mol. IUPAC: methyl (2Z)-3,3,3-trifluoro-2-(5-methyl-1,3-benzoxathiol-2-ylidene)propanoate.
Chemical Property Profile of (Z)-methyl 3,3,3-trifluoro-2-(5-methylbenzo[d][1,3]oxathiol-2-ylidene)propanoate
Property Insights of (Z)-methyl 3,3,3-trifluoro-2-(5-methylbenzo[d][1,3]oxathiol-2-ylidene)propanoate
The XLogP value of 3.42642 indicates that (Z)-methyl 3,3,3-trifluoro-2-(5-methylbenzo[d][1,3]oxathiol-2-ylidene)propanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 35.53 Ų, (Z)-methyl 3,3,3-trifluoro-2-(5-methylbenzo[d][1,3]oxathiol-2-ylidene)propanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (Z)-methyl 3,3,3-trifluoro-2-(5-methylbenzo[d][1,3]oxathiol-2-ylidene)propanoate has 0 hydrogen bond donor(s) and 4 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 (Z)-methyl 3,3,3-trifluoro-2-(5-methylbenzo[d][1,3]oxathiol-2-ylidene)propanoate?
The CAS number of (Z)-methyl 3,3,3-trifluoro-2-(5-methylbenzo[d][1,3]oxathiol-2-ylidene)propanoate is 352318-87-7.
What is the molecular formula of (Z)-methyl 3,3,3-trifluoro-2-(5-methylbenzo[d][1,3]oxathiol-2-ylidene)propanoate?
The molecular formula of (Z)-methyl 3,3,3-trifluoro-2-(5-methylbenzo[d][1,3]oxathiol-2-ylidene)propanoate is C12H9F3O3S.
What is the molecular weight of (Z)-methyl 3,3,3-trifluoro-2-(5-methylbenzo[d][1,3]oxathiol-2-ylidene)propanoate?
The molecular weight of (Z)-methyl 3,3,3-trifluoro-2-(5-methylbenzo[d][1,3]oxathiol-2-ylidene)propanoate is 290.02 g/mol.
Where can I buy (Z)-methyl 3,3,3-trifluoro-2-(5-methylbenzo[d][1,3]oxathiol-2-ylidene)propanoate?
You can request a quote for (Z)-methyl 3,3,3-trifluoro-2-(5-methylbenzo[d][1,3]oxathiol-2-ylidene)propanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (Z)-methyl 3,3,3-trifluoro-2-(5-methylbenzo[d][1,3]oxathiol-2-ylidene)propanoate?
Yes, KEHONG BIO provides custom synthesis services for (Z)-methyl 3,3,3-trifluoro-2-(5-methylbenzo[d][1,3]oxathiol-2-ylidene)propanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.