![Methyl difluoro[(2-phenyl-1H-indol-3-yl)sulfanyl]acetate structure](/static/products/352/352319-05-2.png)
Methyl difluoro[(2-phenyl-1H-indol-3-yl)sulfanyl]acetate
TL;DR: Methyl difluoro[(2-phenyl-1H-indol-3-yl)sulfanyl]acetate (CAS 352319-05-2) is a chemical compound with molecular formula C17H13F2NO2S and molecular weight 333.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2,2-difluoro-2-[(2-phenyl-1H-indol-3-yl)sulfanyl]acetate
Also Known As: Methyl difluoro[(2-phenyl-1H-indol-3-yl)sulfanyl]acetate, methyl 2,2-difluoro-2-((2-phenyl-1H-indol-3-yl)thio)acetate, Methyl difluoro[(2-phenyl-1H-indol-3-yl)sulfanyl]acetate #, Difluoro-(2-phenyl-1H-indol-3-ylsulfanyl)-acetic acid methyl ester, methyl 2,2-difluoro-2-[(2-phenyl-1H-indol-3-yl)sulfanyl]acetate
| Molecular Formula | C17H13F2NO2S |
|---|---|
| Molecular Weight | 333.06 g/mol |
| LogP | 4.9 |
| Topological Polar Surface Area | 67.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 333.0635 |
| Heavy Atoms | 23 |
| Complexity | 429.0 |
Chemical Identifiers
| CAS Number | 352319-05-2 |
|---|---|
| SMILES | COC(=O)C(F)(F)SC1=C(NC2=CC=CC=C21)C3=CC=CC=C3 |
| InChIKey | SPYNGSHLGHZNRS-UHFFFAOYSA-N |
Product Overview
Methyl difluoro[(2-phenyl-1H-indol-3-yl)sulfanyl]acetate (CAS 352319-05-2), with molecular formula C17H13F2NO2S and molecular weight 333.06 g/mol. IUPAC: methyl 2,2-difluoro-2-[(2-phenyl-1H-indol-3-yl)sulfanyl]acetate.
Chemical Property Profile of Methyl difluoro[(2-phenyl-1H-indol-3-yl)sulfanyl]acetate
Property Insights of Methyl difluoro[(2-phenyl-1H-indol-3-yl)sulfanyl]acetate
The XLogP value of 4.9 indicates that Methyl difluoro[(2-phenyl-1H-indol-3-yl)sulfanyl]acetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 67.4 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl difluoro[(2-phenyl-1H-indol-3-yl)sulfanyl]acetate. Following Lipinski's Rule of Five, Methyl difluoro[(2-phenyl-1H-indol-3-yl)sulfanyl]acetate has 1 hydrogen bond donor(s) and 5 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 Methyl difluoro[(2-phenyl-1H-indol-3-yl)sulfanyl]acetate?
The CAS number of Methyl difluoro[(2-phenyl-1H-indol-3-yl)sulfanyl]acetate is 352319-05-2.
What is the molecular formula of Methyl difluoro[(2-phenyl-1H-indol-3-yl)sulfanyl]acetate?
The molecular formula of Methyl difluoro[(2-phenyl-1H-indol-3-yl)sulfanyl]acetate is C17H13F2NO2S.
What is the molecular weight of Methyl difluoro[(2-phenyl-1H-indol-3-yl)sulfanyl]acetate?
The molecular weight of Methyl difluoro[(2-phenyl-1H-indol-3-yl)sulfanyl]acetate is 333.06 g/mol.
Where can I buy Methyl difluoro[(2-phenyl-1H-indol-3-yl)sulfanyl]acetate?
You can request a quote for Methyl difluoro[(2-phenyl-1H-indol-3-yl)sulfanyl]acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl difluoro[(2-phenyl-1H-indol-3-yl)sulfanyl]acetate?
Yes, KEHONG BIO provides custom synthesis services for Methyl difluoro[(2-phenyl-1H-indol-3-yl)sulfanyl]acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.