![ethyl 2-(benzylamino)-3,3,3-trifluoro-N-[(4-methylphenyl)sulfonyl]alaninate structure](/static/products/255/255872-12-9.png)
ethyl 2-(benzylamino)-3,3,3-trifluoro-N-[(4-methylphenyl)sulfonyl]alaninate
TL;DR: ethyl 2-(benzylamino)-3,3,3-trifluoro-N-[(4-methylphenyl)sulfonyl]alaninate (CAS 255872-12-9) is a chemical compound with molecular formula C19H21F3N2O4S and molecular weight 430.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-(benzylamino)-3,3,3-trifluoro-2-[(4-methylphenyl)sulfonylamino]propanoate
Also Known As: ethyl 2-(benzylamino)-3,3,3-trifluoro-N-[(4-methylphenyl)sulfonyl]alaninate, Ethyl 2-(benzylamino)-3,3,3-trifluoro-2-[(4-methylphenyl)sulfonylamino]propanoate, ethyl 2-(benzylamino)-3,3,3-trifluoro-2-(4-methylphenylsulfonamido)propanoate, ethyl 2-(benzylamino)-3,3,3-trifluoro-2-{[(4-methylphenyl)sulfonyl]amino}propanoate
| Molecular Formula | C19H21F3N2O4S |
|---|---|
| Molecular Weight | 430.12 g/mol |
| LogP | 2.88482 |
| Topological Polar Surface Area | 84.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 430.1174 |
| Heavy Atoms | 29 |
| Complexity | 932.17664 |
Chemical Identifiers
| CAS Number | 255872-12-9 |
|---|---|
| SMILES | CCOC(=O)C(C(F)(F)F)(NCC1=CC=CC=C1)NS(=O)(=O)C2=CC=C(C=C2)C |
Product Overview
ethyl 2-(benzylamino)-3,3,3-trifluoro-N-[(4-methylphenyl)sulfonyl]alaninate (CAS 255872-12-9), with molecular formula C19H21F3N2O4S and molecular weight 430.12 g/mol. IUPAC: ethyl 2-(benzylamino)-3,3,3-trifluoro-2-[(4-methylphenyl)sulfonylamino]propanoate.
Chemical Property Profile of ethyl 2-(benzylamino)-3,3,3-trifluoro-N-[(4-methylphenyl)sulfonyl]alaninate
Property Insights of ethyl 2-(benzylamino)-3,3,3-trifluoro-N-[(4-methylphenyl)sulfonyl]alaninate
The XLogP value of 2.88482 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ethyl 2-(benzylamino)-3,3,3-trifluoro-N-[(4-methylphenyl)sulfonyl]alaninate. The TPSA of 84.5 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 2-(benzylamino)-3,3,3-trifluoro-N-[(4-methylphenyl)sulfonyl]alaninate. Following Lipinski's Rule of Five, ethyl 2-(benzylamino)-3,3,3-trifluoro-N-[(4-methylphenyl)sulfonyl]alaninate has 2 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 ethyl 2-(benzylamino)-3,3,3-trifluoro-N-[(4-methylphenyl)sulfonyl]alaninate?
The CAS number of ethyl 2-(benzylamino)-3,3,3-trifluoro-N-[(4-methylphenyl)sulfonyl]alaninate is 255872-12-9.
What is the molecular formula of ethyl 2-(benzylamino)-3,3,3-trifluoro-N-[(4-methylphenyl)sulfonyl]alaninate?
The molecular formula of ethyl 2-(benzylamino)-3,3,3-trifluoro-N-[(4-methylphenyl)sulfonyl]alaninate is C19H21F3N2O4S.
What is the molecular weight of ethyl 2-(benzylamino)-3,3,3-trifluoro-N-[(4-methylphenyl)sulfonyl]alaninate?
The molecular weight of ethyl 2-(benzylamino)-3,3,3-trifluoro-N-[(4-methylphenyl)sulfonyl]alaninate is 430.12 g/mol.
Where can I buy ethyl 2-(benzylamino)-3,3,3-trifluoro-N-[(4-methylphenyl)sulfonyl]alaninate?
You can request a quote for ethyl 2-(benzylamino)-3,3,3-trifluoro-N-[(4-methylphenyl)sulfonyl]alaninate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl 2-(benzylamino)-3,3,3-trifluoro-N-[(4-methylphenyl)sulfonyl]alaninate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 2-(benzylamino)-3,3,3-trifluoro-N-[(4-methylphenyl)sulfonyl]alaninate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.