methyl 2,3,3,3-tetrafluoro-2-(1H-indol-3-ylsulfanyl)propanoate
TL;DR: methyl 2,3,3,3-tetrafluoro-2-(1H-indol-3-ylsulfanyl)propanoate (CAS 184949-62-0) is a chemical compound with molecular formula C12H9F4NO2S and molecular weight 307.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2,3,3,3-tetrafluoro-2-(1H-indol-3-ylsulfanyl)propanoate
Also Known As: methyl 2,3,3,3-tetrafluoro-2-(1H-indol-3-ylsulfanyl)propanoate, methyl 2,3,3,3-tetrafluoro-2-indol-3-ylthiopropanoate, A2740/0116390, methyl 2-((1H-indol-3-yl)thio)-2,3,3,3-tetrafluoropropanoate
| Molecular Formula | C12H9F4NO2S |
|---|---|
| Molecular Weight | 307.03 g/mol |
| LogP | 3.6611 |
| Topological Polar Surface Area | 42.09 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 307.02902 |
| Heavy Atoms | 20 |
| Complexity | 639.6642 |
Chemical Identifiers
| CAS Number | 184949-62-0 |
|---|---|
| SMILES | COC(=O)C(C(F)(F)F)(F)SC1=CNC2=CC=CC=C21 |
Product Overview
methyl 2,3,3,3-tetrafluoro-2-(1H-indol-3-ylsulfanyl)propanoate (CAS 184949-62-0), with molecular formula C12H9F4NO2S and molecular weight 307.03 g/mol. IUPAC: methyl 2,3,3,3-tetrafluoro-2-(1H-indol-3-ylsulfanyl)propanoate.
Chemical Property Profile of methyl 2,3,3,3-tetrafluoro-2-(1H-indol-3-ylsulfanyl)propanoate
Property Insights of methyl 2,3,3,3-tetrafluoro-2-(1H-indol-3-ylsulfanyl)propanoate
The XLogP value of 3.6611 indicates that methyl 2,3,3,3-tetrafluoro-2-(1H-indol-3-ylsulfanyl)propanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 42.09 Ų, methyl 2,3,3,3-tetrafluoro-2-(1H-indol-3-ylsulfanyl)propanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, methyl 2,3,3,3-tetrafluoro-2-(1H-indol-3-ylsulfanyl)propanoate has 1 hydrogen bond donor(s) and 3 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 2,3,3,3-tetrafluoro-2-(1H-indol-3-ylsulfanyl)propanoate?
The CAS number of methyl 2,3,3,3-tetrafluoro-2-(1H-indol-3-ylsulfanyl)propanoate is 184949-62-0.
What is the molecular formula of methyl 2,3,3,3-tetrafluoro-2-(1H-indol-3-ylsulfanyl)propanoate?
The molecular formula of methyl 2,3,3,3-tetrafluoro-2-(1H-indol-3-ylsulfanyl)propanoate is C12H9F4NO2S.
What is the molecular weight of methyl 2,3,3,3-tetrafluoro-2-(1H-indol-3-ylsulfanyl)propanoate?
The molecular weight of methyl 2,3,3,3-tetrafluoro-2-(1H-indol-3-ylsulfanyl)propanoate is 307.03 g/mol.
Where can I buy methyl 2,3,3,3-tetrafluoro-2-(1H-indol-3-ylsulfanyl)propanoate?
You can request a quote for methyl 2,3,3,3-tetrafluoro-2-(1H-indol-3-ylsulfanyl)propanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl 2,3,3,3-tetrafluoro-2-(1H-indol-3-ylsulfanyl)propanoate?
Yes, KEHONG BIO provides custom synthesis services for methyl 2,3,3,3-tetrafluoro-2-(1H-indol-3-ylsulfanyl)propanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.