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Ethyl 2-(acetylamino)-3,3,3-trifluoro-2-[(phenylsulfonyl)amino]propanoate
TL;DR: Ethyl 2-(acetylamino)-3,3,3-trifluoro-2-[(phenylsulfonyl)amino]propanoate (CAS 255872-05-0) is a chemical compound with molecular formula C13H15F3N2O5S and molecular weight 368.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-acetamido-2-(benzenesulfonamido)-3,3,3-trifluoropropanoate
Also Known As: ethyl 2-(acetylamino)-3,3,3-trifluoro-N-(phenylsulfonyl)alaninate, ethyl 2-(acetylamino)-3,3,3-trifluoro-2-[(phenylsulfonyl)amino]propanoate, ethyl 2-acetamido-2-(benzenesulfonamido)-3,3,3-trifluoropropanoate, ethyl 2-acetamido-3,3,3-trifluoro-2-(phenylsulfonamido)propanoate, ETHYL 2-BENZENESULFONAMIDO-2-ACETAMIDO-3,3,3-TRIFLUOROPROPANOATE
| Molecular Formula | C13H15F3N2O5S |
|---|---|
| Molecular Weight | 368.07 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 110.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 7 |
| Exact Mass | 368.06537 |
| Heavy Atoms | 24 |
| Complexity | 567.0 |
Chemical Identifiers
| CAS Number | 255872-05-0 |
|---|---|
| SMILES | CCOC(=O)C(C(F)(F)F)(NC(=O)C)NS(=O)(=O)C1=CC=CC=C1 |
| InChIKey | KBOOPBXNYAWVLM-UHFFFAOYSA-N |
Product Overview
Ethyl 2-(acetylamino)-3,3,3-trifluoro-2-[(phenylsulfonyl)amino]propanoate (CAS 255872-05-0), with molecular formula C13H15F3N2O5S and molecular weight 368.07 g/mol. IUPAC: ethyl 2-acetamido-2-(benzenesulfonamido)-3,3,3-trifluoropropanoate.
Chemical Property Profile of Ethyl 2-(acetylamino)-3,3,3-trifluoro-2-[(phenylsulfonyl)amino]propanoate
Property Insights of Ethyl 2-(acetylamino)-3,3,3-trifluoro-2-[(phenylsulfonyl)amino]propanoate
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 2-(acetylamino)-3,3,3-trifluoro-2-[(phenylsulfonyl)amino]propanoate. The TPSA of 110.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 2-(acetylamino)-3,3,3-trifluoro-2-[(phenylsulfonyl)amino]propanoate. Following Lipinski's Rule of Five, Ethyl 2-(acetylamino)-3,3,3-trifluoro-2-[(phenylsulfonyl)amino]propanoate has 2 hydrogen bond donor(s) and 9 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-(acetylamino)-3,3,3-trifluoro-2-[(phenylsulfonyl)amino]propanoate?
The CAS number of Ethyl 2-(acetylamino)-3,3,3-trifluoro-2-[(phenylsulfonyl)amino]propanoate is 255872-05-0.
What is the molecular formula of Ethyl 2-(acetylamino)-3,3,3-trifluoro-2-[(phenylsulfonyl)amino]propanoate?
The molecular formula of Ethyl 2-(acetylamino)-3,3,3-trifluoro-2-[(phenylsulfonyl)amino]propanoate is C13H15F3N2O5S.
What is the molecular weight of Ethyl 2-(acetylamino)-3,3,3-trifluoro-2-[(phenylsulfonyl)amino]propanoate?
The molecular weight of Ethyl 2-(acetylamino)-3,3,3-trifluoro-2-[(phenylsulfonyl)amino]propanoate is 368.07 g/mol.
Where can I buy Ethyl 2-(acetylamino)-3,3,3-trifluoro-2-[(phenylsulfonyl)amino]propanoate?
You can request a quote for Ethyl 2-(acetylamino)-3,3,3-trifluoro-2-[(phenylsulfonyl)amino]propanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 2-(acetylamino)-3,3,3-trifluoro-2-[(phenylsulfonyl)amino]propanoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 2-(acetylamino)-3,3,3-trifluoro-2-[(phenylsulfonyl)amino]propanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.