![ethyl 3,3,3-trifluoro-N-[(3-methylphenyl)carbonyl]alaninate structure](/static/products/100/1008706-91-9.png)
ethyl 3,3,3-trifluoro-N-[(3-methylphenyl)carbonyl]alaninate
TL;DR: ethyl 3,3,3-trifluoro-N-[(3-methylphenyl)carbonyl]alaninate (CAS 1008706-91-9) is a chemical compound with molecular formula C13H14F3NO3 and molecular weight 289.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 3,3,3-trifluoro-2-[(3-methylbenzoyl)amino]propanoate
Also Known As: AB01331893-02, ethyl 3,3,3-trifluoro-N-[(3-methylphenyl)carbonyl]alaninate, ethyl 3,3,3-trifluoro-2-[(3-methylbenzoyl)amino]propanoate, ethyl 3,3,3-trifluoro-2-[(3-methylphenyl)formamido]propanoate, ethyl 3,3,3-trifluoro-2-[(3-methylphenyl)carbonylamino]propanoate
| Molecular Formula | C13H14F3NO3 |
|---|---|
| Molecular Weight | 289.09 g/mol |
| LogP | 2.21882 |
| Topological Polar Surface Area | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 289.0926 |
| Heavy Atoms | 20 |
| Complexity | 499.8799 |
Chemical Identifiers
| CAS Number | 1008706-91-9 |
|---|---|
| SMILES | CCOC(=O)C(C(F)(F)F)NC(=O)C1=CC=CC(=C1)C |
Product Overview
ethyl 3,3,3-trifluoro-N-[(3-methylphenyl)carbonyl]alaninate (CAS 1008706-91-9), with molecular formula C13H14F3NO3 and molecular weight 289.09 g/mol. IUPAC: ethyl 3,3,3-trifluoro-2-[(3-methylbenzoyl)amino]propanoate.
Chemical Property Profile of ethyl 3,3,3-trifluoro-N-[(3-methylphenyl)carbonyl]alaninate
Property Insights of ethyl 3,3,3-trifluoro-N-[(3-methylphenyl)carbonyl]alaninate
The XLogP value of 2.21882 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ethyl 3,3,3-trifluoro-N-[(3-methylphenyl)carbonyl]alaninate. With a topological polar surface area (TPSA) of 55.4 Ų, ethyl 3,3,3-trifluoro-N-[(3-methylphenyl)carbonyl]alaninate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ethyl 3,3,3-trifluoro-N-[(3-methylphenyl)carbonyl]alaninate 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 ethyl 3,3,3-trifluoro-N-[(3-methylphenyl)carbonyl]alaninate?
The CAS number of ethyl 3,3,3-trifluoro-N-[(3-methylphenyl)carbonyl]alaninate is 1008706-91-9.
What is the molecular formula of ethyl 3,3,3-trifluoro-N-[(3-methylphenyl)carbonyl]alaninate?
The molecular formula of ethyl 3,3,3-trifluoro-N-[(3-methylphenyl)carbonyl]alaninate is C13H14F3NO3.
What is the molecular weight of ethyl 3,3,3-trifluoro-N-[(3-methylphenyl)carbonyl]alaninate?
The molecular weight of ethyl 3,3,3-trifluoro-N-[(3-methylphenyl)carbonyl]alaninate is 289.09 g/mol.
Where can I buy ethyl 3,3,3-trifluoro-N-[(3-methylphenyl)carbonyl]alaninate?
You can request a quote for ethyl 3,3,3-trifluoro-N-[(3-methylphenyl)carbonyl]alaninate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl 3,3,3-trifluoro-N-[(3-methylphenyl)carbonyl]alaninate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 3,3,3-trifluoro-N-[(3-methylphenyl)carbonyl]alaninate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.