Methyl 3,3,3-trifluoro-2-hydroxy-2-(5-methyl-1H-indol-3-yl)propanoate
TL;DR: Methyl 3,3,3-trifluoro-2-hydroxy-2-(5-methyl-1H-indol-3-yl)propanoate (CAS 304458-64-8) is a chemical compound with molecular formula C13H12F3NO3 and molecular weight 287.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3,3,3-trifluoro-2-hydroxy-2-(5-methyl-1H-indol-3-yl)propanoate
Also Known As: J3.771.190J, Methyl 3,3,3-trifluoro-2-hydroxy-2-(5-methyl-1H-indol-3-yl)propanoate
| Molecular Formula | C13H12F3NO3 |
|---|---|
| Molecular Weight | 287.08 g/mol |
| LogP | 2.39922 |
| Topological Polar Surface Area | 62.32 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 287.07693 |
| Heavy Atoms | 20 |
| Complexity | 662.4154 |
Chemical Identifiers
| CAS Number | 304458-64-8 |
|---|---|
| SMILES | CC1=CC2=C(C=C1)NC=C2C(C(=O)OC)(C(F)(F)F)O |
Product Overview
Methyl 3,3,3-trifluoro-2-hydroxy-2-(5-methyl-1H-indol-3-yl)propanoate (CAS 304458-64-8), with molecular formula C13H12F3NO3 and molecular weight 287.08 g/mol. IUPAC: methyl 3,3,3-trifluoro-2-hydroxy-2-(5-methyl-1H-indol-3-yl)propanoate.
Chemical Property Profile of Methyl 3,3,3-trifluoro-2-hydroxy-2-(5-methyl-1H-indol-3-yl)propanoate
Property Insights of Methyl 3,3,3-trifluoro-2-hydroxy-2-(5-methyl-1H-indol-3-yl)propanoate
The XLogP value of 2.39922 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 3,3,3-trifluoro-2-hydroxy-2-(5-methyl-1H-indol-3-yl)propanoate. The TPSA of 62.32 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 3,3,3-trifluoro-2-hydroxy-2-(5-methyl-1H-indol-3-yl)propanoate. Following Lipinski's Rule of Five, Methyl 3,3,3-trifluoro-2-hydroxy-2-(5-methyl-1H-indol-3-yl)propanoate has 2 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 3,3,3-trifluoro-2-hydroxy-2-(5-methyl-1H-indol-3-yl)propanoate?
The CAS number of Methyl 3,3,3-trifluoro-2-hydroxy-2-(5-methyl-1H-indol-3-yl)propanoate is 304458-64-8.
What is the molecular formula of Methyl 3,3,3-trifluoro-2-hydroxy-2-(5-methyl-1H-indol-3-yl)propanoate?
The molecular formula of Methyl 3,3,3-trifluoro-2-hydroxy-2-(5-methyl-1H-indol-3-yl)propanoate is C13H12F3NO3.
What is the molecular weight of Methyl 3,3,3-trifluoro-2-hydroxy-2-(5-methyl-1H-indol-3-yl)propanoate?
The molecular weight of Methyl 3,3,3-trifluoro-2-hydroxy-2-(5-methyl-1H-indol-3-yl)propanoate is 287.08 g/mol.
Where can I buy Methyl 3,3,3-trifluoro-2-hydroxy-2-(5-methyl-1H-indol-3-yl)propanoate?
You can request a quote for Methyl 3,3,3-trifluoro-2-hydroxy-2-(5-methyl-1H-indol-3-yl)propanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 3,3,3-trifluoro-2-hydroxy-2-(5-methyl-1H-indol-3-yl)propanoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 3,3,3-trifluoro-2-hydroxy-2-(5-methyl-1H-indol-3-yl)propanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.